As numerous other world leaders in quantum and computational chemistry, Shigeru Nagase, professor at the Institute for Molecular Science or IMS in Okazaki, crosses the age of 65. This impressive wave of sexagenarians among chemical theorists is undoubtedly related to the advancements of the third-generation computers in the sixties. He was born and raised in Osaka, a town known for practical approaches of its folks. Early modern Japan revolved around three cities: the spiritual center and emperor’s seat of Kyoto, the shogun’s city of Edo/Tokyo, and the craft and merchant center of Osaka. People raised in Osaka are straightforward, fast-thinking, practical, tough, but warm and kind, aiming at a visible, applicable result, and frequently also heavy smokers—and he is no exception to the rules.

Shigeru received his PhD degree in 1975 (under Prof. Takayuki Fueno) from Osaka University, one of the traditional seven members of the Japanese ‘Ivy League’. After three years as a postdoctoral fellow at the University of Rochester (with Prof. Keiji Morokuma) and The Ohio State University (with Prof. C. William Kern), and an intermission at the IMS in Okazaki, he became Associate Professor at Yokohama National University and Professor there in 1991. In 1995, he moved to Tokyo Metropolitan University and since 2001, he has been Professor in the Department of Theoretical and Computational Molecular Science of the IMS.

figure b

An old depiction of the present IMS area—a woodcut from ‘The Fifty-Three Stations of the Tokaido’ by the great Utagawa Hiroshige (1797–1858). The founder of the Tokugawa Shogunate (1603–1868), Ieyasu Tokugawa (1543–1616), was born in the Okazaki castle. The IMS campus is located to the right from the castle

Shigeru has been active in several research areas like design and development of new aromatic, multiply bonded, hypervalent, polycyclic, and polyhedral compounds with heavier main group elements in the framework, including cage-like silicon and germanium clusters stabilized by transition metals. From the early days of fullerene science, he has been one of the leaders of the calculations on fullerenes, endofullerenes, nanotubes, nanographenes, peapods, nanocables, always in a close contact and co-operation with experimentalists. These days he has been interested in high-performance algorithms for MP2 and RI-MP2 calculations or in developing a projector Monte Carlo method for full-CI energies. His life-long scientific philosophy is a strong belief that the fruitful interplay between theory and experiment is mutually very important.

The future is bright for the Japanese quantum molecular science as it activities are to be supported also by the new ‘K computer’ (68,544 CPUs) co-ordinated by RIKEN (The Institute of Physical and Chemical Research). With such hardware background, powerful computational nanoscience of the 21-st century will flourish. In such exciting times and with a large body of disciples, collaborators, friends of Shigeru, it has been a pleasant task to organize this Festschrift.

Publication List (journal papers) of Shigeru Nagase

  1. 1.

    T. Fueno, S. Nagase, T. Tatsumi, and K. Yamaguchi: An Intermolecular Perturbation Approach to the Cycloaddition of Carbenes toward Olefins. Reaction Path and Stereoselectivity, Theor. Chim. Acta, 26, 43–54 (l972).

  2. 2.

    S. Nagase and T. Fueno: An Intermolecular Perturbation Approach to Hydrogen Bondings in Systems in the Ground and Excited Electronic States, Theor. Chim. Acta, 35, 217–230 (1974).

  3. 3.

    S. Nagase and T. Fueno: Reaction Paths of Some Open-Shell Reactive Intermediates. An Intermolecular Perturbation Approach, Theor. Chim. Acta, 41, 59–70 (l976).

  4. 4.

    S. Nagase, K. Takatsuka, and T. Fueno: Localized Molecular Orbital Studies of Chemical Reactions. Deformation, Rearrangement, and Spin Polarization of Bonds Involved In Radical Reactions, J. Am. Chem. Soc., 98, 3838–3844 (1976).

  5. 5.

    S. Nagase and T. Fueno: Localized Molecular Orbital Studies of Chemical Reactions. Abstraction and Addition Reactions of Triplet Methylene, Bull. Chem. Soc. Jpn., 49, 2920–2926 (l976).

  6. 6.

    T. Okada, S. Nagase, K. Yamaguchi, and T. Fueno: Electronic Configuration Analysis of Molecular Deformations, Bull. Chem. Soc. Jpn., 49, 2377–2378 (1976).

  7. 7.

    K. Takatsuka, S. Nagase, K. Yamaguchi, and T. Fueno: The Spin-Optimized SCF General Spin Orbitals. Theoretical Formulation, J. Chem. Phys., 67, 2527–2535 (1977).

  8. 8.

    S. Nagase and K. Morokuma: Relative Stability of Planar and Perpendicular Olefins, J. Am. Chem. Soc., 100, 1661–1666 (1978).

  9. 9.

    S. Nagase and K. Morokuma: An Ab Initio Molecular Orbital Study of Organic Reactions. The Energy, Charge, and Spin Decomposition Analyses at the Transition State and along the Reaction Pathway, J. Am. Chem. Soc., 100, 1666–1672 (1978).

  10. 10.

    S. Nagase, T. Fueno, S. Yamabe, and K. Kitaura: An Energy Decomposition Scheme Applicable to Strongly Interacting Systems, Theor. Chim. Acta, 49, 309–320 (1978).

  11. 11.

    S. Nagase and C. W. Kern: Ab Initio Mechanistic Study of Radical Reactions. Transition States and Reaction Barriers for the Reaction of Atomic Hydrogen with Acetylene, J. Am. Chem. Soc., 101, 2544–2549 (1979).

  12. 12.

    K. Yoshida and S. Nagase: Anodic Cyanation. Aromatic Nucleophilic Substitution of Monomethyl- and Dimethylnaphthalenes, J. Am. Chem. Soc., 101, 4268–4272 (1979).

  13. 13.

    S. Nagase, T. Fueno, and K. Morokuma: An Ab Initio Approach to Organic Reaction Rates. Kinetic Isotope Effects in the Reaction H + C2H4 → C2H5, J. Am. Chem. Soc., 101, 5849–5851 (1979).

  14. 14.

    S. Nagase and C. W. Kern: Ab Initio Mechanistic Study of Radical Reactions. Relative Reactivity of Olefinic and Acetylenic Bonds in Addition Reactions, J. Am. Chem. Soc., 102, 4513–4515 (1980).

  15. 15.

    S. Nagase, N. K. Ray, and K. Morokuma: Reaction Mechanism of Hydroboration. Ab Initio MO Study on the C2H4 + BH3 Reaction, J. Am. Chem. Soc., 102, 4536–4537 (1980).

  16. 16.

    M. Miura, M. Nojima, S. Kusabayashi, and S. Nagase: Formation of the Crossed Product 1,4-Disubstituted 2,3,5,6,11-Pentaoxabicyclo [5.3.1]undecane from a Mixture of Two Kinds of Ozonides in the Presence of an Acid Catalyst. Elucidation of the Intermediates in the Acidolysis of an Ozonide, J. Am. Chem. Soc., 103, 1789–1796 (1981).

  17. 17.

    K. Kowari, K. Sugawara, S. Sato, and S. Nagase: Kinetic Isotope Effect of Chemically Activated Vinyl Radicals, Bull. Chem. Soc. Jpn., 54, 1222–1226 (1981).

  18. 18.

    M. Hanamura, S. Nagase, and K. Morokuma: The Stability and Nature of an Si–C Double Bond. An Ab Initio MO Study for 1,1-Dimethylsilaethylene, Tetrahedron Lett., 22, 1813–1816 (1981).

  19. 19.

    T. Kudo and S. Nagase: Restricted Hartree–Fock Calculations on CGeH4 and CGeH5 + The Properties of a Germanium-Carbon Double Bond, Chem. Phys. Lett., 84, 375–379 (1981).

  20. 20.

    K. N. Houk, R. W. Strozier, M. D. Rozeboom, and S. Nagase: Syn and Anti Transition States in the Addition of Ammonia to Cyanoacetylene. Formation of a Stable Zwitterionic Intermediate, J. Am. Chem. Soc., 104, 323–325 (1982).

  21. 21.

    S. Nagase and K. N. Houk: Internal Lithium Coordination by a π-Bond in 7-Lithionorbornadiene, Tetrahedron Lett., 23, 19–22 (1982).

  22. 22.

    S.-I. Murahashi, K. Okumura, T. Naota, and S. Nagase: Structure and Reactivity of Bicyclo[3.2.1]octa-2,6-dien-4-ylidene and Bicyclo[3.3.1]oct-2-en-4-ylidene. Nucleophilicity of Vinylcarbenes, J. Am. Chem. Soc., 104, 2466–2475 (1982).

  23. 23.

    S. Nagase and Y. Uchibori: An Ab Initio Approach to the Mechanism of the Grignard Reaction, Terahedron Lett., 23, 2585–2588 (1982).

  24. 24.

    T. Watanabe, T. Kyogoku, S. Tsunashima, S. Sato, and S. Nagase: Kinetic Isotope Effects in the H + C3H6 → C3H7 Reaction, Bull. Chem. Soc. Jpn., 55, 3720–3723 (1982).

  25. 25.

    S. Nagase and T. Kudo: An Ab Initio Study of a Germanium–Germanium Double Bond in Digermene, J. Mol. Struct. (Theochem), 103, 35–44 (1983).

  26. 26.

    N. Washida, M. Sutoh, S. Nagase, U. Nagashima, and K. Morokuma: Emission Spectra of CF3 Radicals. Excitation Spectra, Quantum Yields, and Potential Energy Surfaces of the CF3 Fluorescences, J. Chem. Phys., 78, 1025–1032 (1983).

  27. 27.

    M. Miura, A. Ikegami, M. Nojima, S. Kusabayashi, K. J. McCullough, and S. Nagase: Synthesis, X-ray Analysis, and Acidolysis of exo- and endo-1-Methylidene Ozonides, J. Am. Chem. Soc., 105, 2414–2426 (1983).

  28. 28.

    S. Nagase and T. Kudo: Ab Initio Mechanistic Comparison of Addition of Hydrogen Chloride to Silaethene and Ethene, J. Chem. Soc., Chem. Commun., 363–364 (1983).

  29. 29.

    M. Miura, S. Nagase, M. Nojima, and S. Kusabayashi: Acidolysis of Ozonides. An Ab Initio Study, J. Org. Chem., 48, 2366–2370 (1983).

  30. 30.

    T. Kudo and S. Nagase: Features of the H2SiO Potential Energy Surface. Stabilization of a Silicon-Oxygen Double Bond, J. Organomet. Chem., 253, c23–c26 (1983).

  31. 31.

    S. Nagase and T. Kudo: Germaethene. Barrier Heights for the 1,2-Hydrogen Shift and the Reaction with Water, Organometallics, 3, 324–325 (1984).

  32. 32.

    S. Nagase and T. Kudo: Controversial Effects of Methyl Substitution on the Silaethene to Silanediyl Isomerization. A Theoretical Study, J. Chem. Soc., Chem. Commun., 141–142 (1984).

  33. 33.

    H. Yamataka, T. Ando, S. Nagase: Ab Initio MO Calculations of Isotope Effects in Model Processes of Neopentyl Ester Solvolysis, M. Hanamura, and K. Morokuma, J. Org. Chem., 49, 631–635 (1984).

  34. 34.

    T. Kudo and S. Nagase: Theoretical Study of Silanone. Thermodynamic and Kinetic Stability, J. Phys. Chem., 88, 2833–2840 (1984).

  35. 35.

    S. Nagase and T. Kudo: Silylene-Disilene Isomerizations. A Theoretical Study, Organometallics, 3, 1320–1322 (1984).

  36. 36.

    S. Nagase and T. Kudo: Barrier Heights and Transition States for the Interconversions of Sila-Olefins (Silenes) and Silanediyls. A Theoretical Study, J. Chem. Soc., Chem. Commun., 1392–1394 (1984).

  37. 37.

    M. Yoshifuji, T. Hashida, N. Inamoto, K. Hirotsu, T. Horiuchi, T. Higuchi, K. Ito, and S. Nagase: E → Z -Photoisomerization of a Diphosphene on Carbonylmetal Complexes (M = Cr, Mo, W), Angew. Chem., Int. Ed. Engl., 24, 211–212 (1985).

  38. 38.

    M. Yagi, K. Makiguchi, A. Ohnuki, K. Suzuki, J. Higuchi, and S. Nagase: The Conformers of 2,2-Bipyridine in the Phosphorescent Triplet State as Studied by Electron Spin Resonance and Phosphorescence, Bull. Chem. Soc. Jpn., 58, 252–257 (1985).

  39. 39.

    T. Kudo and S. Nagase: Theoretical Study on the Dimerization of Silanone and the Properties of the Polymeric Products (H2SiO)n (n = 2, 3, and 4). Comparison with Dimers (H2SiS)2 and (H2CO)2, J. Am. Chem. Soc., 107, 2589–2595 (1985).

  40. 40.

    M. Yoshifuji, K. Sibayama, K. Toyota, N. Inamoto, and S. Nagase: Attempted Isolation of Monomeric Iminophosphines. Formation of a Sterically Protected Iminophosphine P-Sulfide and Detection of Iminophosphines, Chem. Lett., 237–240 (1985).

  41. 41.

    M. Yoshifuji, N. Inamoto, K. Ito, and S. Nagase: Ab Initio Calculation of Diphosphene and Cyclopolyphosphanes, Chem. Lett., 437–440 (1985).

  42. 42.

    S. Nagase, T. Kudo, and M. Aoki: Hexasilabenzene (Si6H6). An Ab Initio Theoretical Study of its Aromaticity and Relative Stability, J. Chem. Soc., Chem. Commun., 1121–1122 (1985).

  43. 43.

    M. Yoshifuji, K. Toyota, N. Inamoto, K. Hirotsu, T. Higuchi, and S. Nagase: Structures of Phosphaethylenes and a 1-Phosphaalyene Containing Phosphorus in Lower Coordination State, Phosphorus, Sulfur Silicon Relat. Elem., 25, 237–243 (1985).

  44. 44.

    H. Yamataka, S. Nagase, T. Ando, and T. Hanafusa: Theoretical Studies of Substituent Effects on the Additions of Amines to Carbonyl Compounds: A Relation among Energetics, Structures, and Isotope Effects, J. Am. Chem. Soc., 108, 601–606 (1986).

  45. 45.

    K. Muraoka, M. Nojima, S. Kusabayashi, and S. Nagase: Reaction of 1-Aryl-3-Chloropropenes with Grignard Reagents. Nucleophilic Substitution versus Single-Electron Transfer, J. Chem. Soc., Perkin Trans. II, 761–767 (1986).

  46. 46.

    T. Kudo and S. Nagase: Theoretical Study of Silanethione (H2Si=S) in the Ground, Excited, and Protonated States: Comparison with Silanone (H2Si=O), Organometallics, 5, 1207–1215 (1986).

  47. 47.

    S. Nagase and K. Ito: Theoretical Study of Hexaphosphabenzene and its Valence Isomers. Is Cyclic P6 Stable? Chem. Phys. Lett., 126, 43–47 (1986).

  48. 48.

    K. N. Houk, M. N. Paddon-Row, D. C. Spellmeyer, N. G. Rondan, and S. Nagase: Theoretical Transition Structures for Radical Additions to Alkenes, J. Org. Chem., 51, 2874–2879 (1986).

  49. 49.

    K. Ito and S. Nagase: Transition Structures and Barriers for the 1,2-H Shifts in Diphosphene (HP=PH), Phosphazene (HP=NH), and Diimide (HN=NH). A Theoretical Study of the Singlet and Triplet States, Chem. Phys. Lett., 126, 531–536 (1986).

  50. 50.

    T. Kudo and S. Nagase: MR CI Calculations of the Low-Lying Excited States of Silanone (H2Si = O), Chem. Phys. Lett., 128, 507–511 (1986).

  51. 51.

    K. Tashiro, M. Unno, S. Nagase, and H. Teramae: A Comparative Study of Conformational Properties of Saturated Silicon and Carbon Compounds, Nippon Kagaku Kaishi, 1404–1408 (1986).

  52. 52.

    M. Okubo, S. Yoshida, Y. Egami, K. Matsuo, and S. Nagase: Aryliminodimagnesium Reagents. Two-Electron Oxidation of the Reagent Molecules in the Reaction with Some Oxidizing Agents and with Strongly Push–Pull Substituted α-Benzylideneacetophenones, Bull. Chem. Soc. Jpn., 60, 1741–1746 (1987).

  53. 53.

    J. Tanaka, M. Nojima, S. Kusabayashi, and S. Nagase: Protonation and Alkylation of 1-Arylpropenyl-Lithium, J. Chem. Soc., Perkin Trans. II, 673–678 (1987).

  54. 54.

    T. Kudo and S. Nagase: Theoretical Search for the Silanone-to-Silylene Isomerization, Organometallics, 6, 1586–1587 (1987).

  55. 55.

    S. Nagase, M. Nakano, and T. Kudo: Strain and Structures in the Silicon Analogues of Tetrahedrane, Prismane, and Cubane. A Theoretical Study, J. Chem. Soc., Chem. Commun., 60–62 (1987).

  56. 56.

    S. Nagase, H. Teramae, and T. Kudo: Hexasilabenzene (Si6H6). Is the Benzene-like D6h Structure Stable? J. Chem. Phys., 86, 4513–4517 (1987).

  57. 57.

    S. Nagase and T. Kudo: Some Interesting Properties in Silapropellanes and Derivatives. A Theoretical Study of Inverted Tetracoordinate Silicon, Organometallics, 6, 2456–2458 (1987).

  58. 58.

    S. Nagase, S. Hashimoto, and H. Akimoto: HOSO2 and HOSO4 Radicals Studied by Ab Initio Calculation and Matrix Isolation Technique, J. Phys. Chem., 92, 641–644 (1988).

  59. 59.

    S. Nagase and T. Kudo: An Ab Initio Comparative Study of Bicyclo[1.1.0]tetrasilane and Bicyclo[2.2.0]hexasilane, J. Chem. Soc., Chem. Commun., 54–56 (1988).

  60. 60.

    H. Yamataka and S. Nagase: Ab Initio Calculations of Hydrogen Transfer. A Computational Test of Variations in the Transition-State Structures and the Coefficient of Rate-Equilibrium Correlation, J. Org. Chem., 53, 3232–3238 (1988).

  61. 61.

    T. Kudo and S. Nagase: Jahn–Teller Distortions of SiH4 + and Si(CH3)4 + , Chem. Phys., 122, 233–245 (1988).

  62. 62.

    S. Nagase, T. Kudo, and T. Kurakake: Unusually Short Phantom Bonds Containing Si and P Atoms. A Theoretical Study of 2,4,5-Trioxa-1,3-Disilabicyclo[1.1.1]pentane and its Phosphorus Dication Analogue, J. Chem. Soc., Chem. Commun., 1063–1064 (1988).

  63. 63.

    T. Kudo and S. Nagase: The GeH4 + Radical Cation. An Ab Initio Study of its Ground State Structure and Kinetic Stability, Chem. Phys. Lett., 148, 73–78 (1988).

  64. 64.

    S. Nagase and M. Nakano: Is Tetrasilatetrahedrane Kinetically Stable? Angew. Chem., Int. Ed. Engl., 27, 1081–1083 (1988).

  65. 65.

    S. Nagase and M. Nakano: Bicyclo[1.1.0]tetragermane and Bicyclo[2.2.0]hexagermane; An Ab Initio Study of Bicyclic Germanium Compounds, J. Chem. Soc., Chem. Commun., 1077–1079 (1988).

  66. 66.

    T. Akasaka, S. Nagase, A. Yabe, and W. Ando: Reaction of Dimesitylsilylene in a Cryogenic Oxygen Matrix: IR Spectroscopic Observation of a Silylene-Oxygen Adduct, J. Am. Chem. Soc., 110, 6270–6272 (1988).

  67. 67.

    M. Yoshifuji, T. Niitsu, K. Toyota, N. Inamoto, K. Hirotsu, Y. Odagaki, T. Higuchi, and S. Nagase: X-Ray Structure of a Sterically Protected 1-Aza-3-Phosoha-Allene, Polyhedron, 7, 2213–2216 (1988).

  68. 68.

    S. Nagase and T. Kudo: Interesting Bonding between the Inverted Germanium Atoms in Pentagerma[1.1.1]propellane and Derivatives. A Theoretical Study, Organometallics, 7, 2534–2536 (1988).

  69. 69.

    S. Nagase: Much Less Strained Cubane Analogues with Si, Ge, Sn, and Pb Skeletons, Angew. Chem., Int. Ed. Engl., 28, 329–330 (1989).

  70. 70.

    T. Kudo and S. Nagase: Jahn–Teller Distortions in SnH4 + and PbH4 +, Chem. Phys. Lett., 156, 289–295 (1989).

  71. 71.

    T. Akasaka, A. Yabe, S. Nagase, and W. Ando: Photochemical Formation of Peroxidic Intermediates and their Structures in a Cryogenio Oxygen Matrix, Nippon Kagaku Kaishi, 1440–1446 (1989).

  72. 72.

    H. Yamataka, K. Nagareda, T. Hanafusa, and S. Nagase, Electron Transfer in the Reaction of a Nonstabilized Ylide with Benzaldehyde, Tetrahedron Lett., 30, 353–356 (1989).

  73. 73.

    S. Nagase, T. Kudo, T. Akasaka, and W. Ando: Theoretical Study of a Silylene-Oxygen Adduct. Is a Silylene Oxide Structure (H2SiOO) Kinetically Stable in the Singlet State? Chem. Phys. Lett., 163, 23–28 (1989).

  74. 74.

    T. Kudo and S. Nagase: The Cyclotrisilane Radical Cation and its Ring-Opened Isomers. A Theoretical Study of Si3H6 +, Chem. Phys. Lett., 164, 217–224 (1989).

  75. 75.

    W. Ando, M. Kako, T. Akasaka, S. Nagase, T. Kawai, Y. Nagai, and T. Sato: Formation of 1, 2-Dioxolane in the Singlet Oxygenation of a Silicon–Silicon σ-Bond: Peroxonium Ion Intermediate, Tetrahedron Lett., 30, 6705–6708 (1989).

  76. 76.

    S. Nagase and T. Kudo: Theoretical Study of Bicyclo[2.2.0]hexaplumbane. A More Flexible and Less Strained Pb Skeleton Compared with C, Si, Ge, and Sn Skeletons, J. Chem. Soc., Chem. Commun., 630–632 (1990).

  77. 77.

    T. Akasaka, M. Kako, S. Nagase, A. Yabe, and W. Ando: Spectroscopic Studies on Charge-Transfer Photooxygenation of Disiliranes, J. Am. Chem. Soc., 112, 7804–7806 (1990).

  78. 78.

    K. N. Houk, Y. -D. Wu, P. H. Mueller, P. Caramella, M. N. Paddon-Row, S. Nagase, and P. H. Mazzocchi: Theory of Rates and Stereoselectivities of Cycloadditions to 7-Substituted Norbornadienes, Tetrahedron Lett., 31, 7289–7292 (1990).

  79. 79.

    M. Yoshifuji, K. Toyota, M. Murayama, H. Yoshimimura, A. Okamoto, K. Hirotsu, and S. Nagase: Preparation of Sterically Protected 3,4-Bis(phosphinidene)cyclobutenes and their Isomerisms, Chem. Lett., 2195–2198 (1990).

  80. 80.

    S. Nagase, S. Suzuki, and T. Kurakake: Do Distibene (HSb=SbH) and Dibismuthene (HBi=BiH) feature Double Bonding? A Theoretical Comparison with Diphosphene (HP=PH) and Diarsene (HAs=AsH), J. Chem. Soc., Chem. Commun., 1724–1726 (1990).

  81. 81.

    A. Pross, H. Yamataka, and S. Nagase: Reactivity in Radical Abstraction Reactions: Application of the Curve Crossing Model, J. Phys. Org. Chem., 4, 135–140 (1991).

  82. 82.

    S. Nagase: Interesting Properties of the Heavier Group 14 Analogues of Aromatic and Polycyclic Carbon Compounds. A Theoretical Study, Polyhedron, 10, 1299–1309 (1991).

  83. 83.

    T. Kudo and S. Nagase: The Structures and Stability of the Si3H6 2+ Dications. A Theoretical Study, Chem. Phys., 153, 379–385 (1991).

  84. 84.

    H. Yamataka, T. Hanafusa, S. Nagase, and T. Kurakake: Theoretical Study on the Transition State of Oxaphosphetane Formation between Ethylidenetriphenylphosphorane and Acetaldehyde, Heteroatom Chem., 2, 465–468 (1991).

  85. 85.

    S. Nagase and K. Kobayashi: Si60 and Si60X (X = Ne, F−, and Na+), Chem. Phys. Lett., 187, 291–294 (1991).

  86. 86.

    S. Nagase, K. Kobayashi, and M. Nagashima: Remarkable Substituent Effects on the Strain Energies of the Polycyclic Silicon Compounds, J. Chem. Soc., Chem. Commun., 1302–1304 (1992).

  87. 87.

    T. Kudo and S. Nagase: The Heavier Group 14 Analogues of the Bicyclo[1.1.0]butane Radical Cations. A Theoretical Study, J. Phys. Chem., 96, 9189–9194 (1992).

  88. 88.

    K. Toyota, K. Tashiro, M. Yoshifuji, and S. Nagase: Preparation and Isomerization of 3,4-Bis(2,4,6-tri-butylphenylphosphinidene)cyclobutenes, Bull. Chem. Soc. Jpn., 65, 2297–2299 (1992).

  89. 89.

    S. Nagase, K. Kobayashi, T. Kato, and Y. Achiba: A Theoretical Approach to C82 and LaC82, Chem. Phys. Lett., 201, 475–480 (1993).

  90. 90.

    S. Nagase: Theoretical Study of Heteroatom-Containing Compounds. From Aromatic and Polycyclic Molecules to Hollow Cage Clusters, Pure Appl. Chem., 65, 675–682 (1993).

  91. 91.

    T. Akasaka, W. Ando, K. Kobayashi, and S. Nagase: Reaction of C60 with Silylene, the First Fullerene Silirane Derivative, J. Am. Chem. Soc., 115, 1605–1606 (1993).

  92. 92.

    T. Kudo and S. Nagase: Cations of Strained Polycyclic Compounds with Si, Ge, Sn, and Pb Skeletons. Theoretical Study of the Structures and Properties, Rev. Heteroatom Chem., 8, 122–142 (1993).

  93. 93.

    S. Nagase and K. Kobayashi: On the Fullerene Structure of the Si60 Cluster, Fullerene Sci. Tech., 1, 299–308 (1993).

  94. 94.

    T. Akasaka, W. Ando, K. Kobayashi, and S. Nagase: Organosilicon Derivatives of Buckminsterfullerene (C60): First Preparation of a Fullerene Silirane, Fullerene Sci. Tech., 1, 339–349 (1993).

  95. 95.

    Y. Matsuhashi, N. Tokitoh, R. Okazaki, M. Goto, and S. Nagase: Synthesis and Structure of 1,2,3,4,5-Tetrachalcogenastannolanes, Organometallics, 12, 1351–1358 (1993).

  96. 96.

    W. Ando, M. Kako, T. Akasaka, and S. Nagase: Reaction of Singlet Oxygen with Disiliranes: Dioxygen Insertion into Si–Si σ Bonds, Organometallics, 12, 1514–1522 (1993).

  97. 97.

    H. Yamataka, K. Nagareda, T. Takatsuka, K. Ando, T. Hanafusa, and S. Nagase: Distinction between Polar and Electron-Transfer Routes. A Mechanistic Study on the Wittig Reactions of Nonstabilized Ylides, J. Am. Chem. Soc., 115, 8570–8576 (1993).

  98. 98.

    K. Kobayashi and S. Nagase: A Theoretical Study of the Stability of the Fullerene-like Cage Structures of Silicon Clusters, Bull. Chem. Soc. Jpn. 66, 3334–3338 (1993).

  99. 99.

    S. Nagase and K. Kobayashi: Metallofullerenes MC82 (M = Sc, Y, and La). A Theoretical Study of the Electronic and Structural Aspects, Chem. Phys. Lett., 214, 57–63 (1993).

  100. 100.

    T. Akasaka, W. Ando, K. Kobayashi, and S. Nagase: Photochemical [2 + 3] Cycloaddition of C60 with Disilirane, J. Am. Chem. Soc., 115, 10366–10367 (1993).

  101. 101.

    K. Komatsu, A. Kagayama, Y. Murata, N. Sugita, K. Kobayashi, S. Nagase, and T. S. M. Wan: Reaction of C60 with Chlorophenyldiazirine. Spectral and Electronic Properties of the C60-Chlorophenylcarbene 1:1 Adduct, Chem. Lett., 2163–2166 (1993).

  102. 102.

    S. Nagase, K. Kobayashi, and T. Kudo: Theoretical Study of the Aromatic and Polyhedral Compounds with Ge, Sn, and Pb Skeletons, Main Group Metal Chem. (a special issue), 17, 171–181 (1994).

  103. 103.

    T. Okuyama, H. Takano, K. Ohnishi, and S. Nagase: Ring Opening and Closure and Oxygen Isotope Exchange of Cyclic Sulfinate Esters, J. Org. Chem., 59, 472–476 (1994).

  104. 104.

    T. Suzuki, Y. Maruyama, T. Akasaka, W. Ando, K. Kobayashi, and S. Nagase: Redox Properties of Organofullerenes, J. Am. Chem. Soc., 116, 1359–1363 (1994).

  105. 105.

    S. Nagase, K. Kobayashi, and T. Kudo: Interesting Properties of Germanium-Based Compounds and Radical Cations. A Theoretical Study, Nippon Kagaku Kaishi, 177–184 (1994).

  106. 106.

    T. Akasaka, E. Mitsuhida, W. Ando, K. Kobayashi, and S. Nagase: Adduct of C70 at the Equatorial Belt: Photochemical Cycloaddition with Disilirane, J. Am. Chem. Soc., 116, 2627–2628 (1994).

  107. 107.

    T. Okuyama and S. Nagase: On the Mechanism of Hydrolysis of Sulfinate Ester: Oxygen Isotope Exchange and Theoretical Studies, J. Chem. Soc., Perkin Trans. 2, 1011–1014 (1994).

  108. 108.

    K. Kobayashi, H. Miura, and S. Nagase: The Heavier Group 15 Analogues of Benzene and Cyclobutadiene and their Valence Isomers (M6 and M4, M = P, As, Sb, and Bi), J. Mol. Struct. (Theochem), 311, 69–77 (1994).

  109. 109.

    T. Kudo and S. Nagase: Theoretical Study of the Persilapentadienyl Sandwich Compound, (Si5H5)2Fe, J. Mol. Struct. (Theochem), 311, 111–121 (1994).

  110. 110.

    S. Nagase and K. Kobayashi: The Ionization Energies and Electron Affinities of Endohedral Metallofullerenes MC82 (M = Sc, Y, and La): Density Functional Calculations, J. Chem. Soc., Chem. Commun., 1837–1838 (1994).

  111. 111.

    Z. Slanina, S. -L. Lee, K. Kobayashi, and S. Nagase: Si60 Clusters: AM1 Computed Ih/C2v Relative Populations, J. Mol. Struct. (Theochem), 312, 175–178 (1994).

  112. 112.

    S. Nagase and K. Kobayashi: Theoretical Study of the Lanthanide Fullerene CeC82: Comparison with ScC82, YC82, and LaC82, Chem. Phys. Lett., 228, 106–110 (1994).

  113. 113.

    T. Naito, S. Nagase, and H. Yamataka: Theoretical Study on the Structure and Reactivity of Ylides of N, P, As, Sb, and Bi, J. Am. Chem. Soc., 116, 10080–10088 (1994).

  114. 114.

    S. Nagase and K. Kobayashi: Theoretical Study of the Dimetallofullerene Sc2@C84, Chem. Phys. Lett., 231, 319–324 (1994).

  115. 115.

    T. Akasaka, W. Ando, K. Kobayashi, and S. Nagase: Organic Chemical Derivatization of Fullerene, Trans. Mat. Res. Soc. Jpn., 14B, 1091–1096 (1994).

  116. 116.

    W. Ando, T. Wakahara, T. Akasaka, and S. Nagase: Synthesis and Characterization of Dilithium 1,2-Disilaacenaphthendiide, Organometallics, 13, 4683-4685 (1994).

  117. 117.

    H. Suzuki, N. Tokitoh, S. Nagase, and R. Okazaki: The First Genuine Silicon-Sulfur Double-Bond Compound: Synthesis and Crystal Structure of a Kinetically Stabilized Silanethione, J. Am. Chem. Soc., 116, 11578–11579 (1994).

  118. 118.

    T. Akasaka, T. Kato, K. Kobayashi, S. Nagase, K. Yamamoto, H. Funasaka, and T. Takahashi: Exohedral Adducts of La@C82, Nature, 374, 600–601 (1995).

  119. 119.

    Z. Slanina, S. -L. Lee, K. Kobayashi, and S. Nagase: AM1 Computed Thermal Effects within the Nine Isolated-Pentagon-Rule Isomers of C82, J. Mol. Struct. (Theochem), 339, 89–93 (1995).

  120. 120.

    T. Suzuki, Y. Maruyama, T. Kato, K. Kikuchi, Y. Nakao, Y. Achiba, K. Kobayashi, and S. Nagase: Electrochemistry and Ab Initio Study of the Dimetallofullerene La2@C80, Angew. Chem., Int. Ed. Engl., 34, 1094–1096 (1995).

  121. 121.

    A. Sekiguchi, H. Yamazaki, C. Kabuto, H. Sakurai, and S. Nagase: Cyclotrigermenes: A New Unsaturated Ring System, J. Am. Chem. Soc., 117, 8025–8026 (1995).

  122. 122.

    T. Akasaka, S. Nagase, K. Kobayashi, T. Suzuki, T. Kato, K. Yamamoto, H. Funasaka, and T. Takahashi: Exohedral Derivatization of an Endohedral Metallofullerene Gd@C82, J. Chem. Soc., Chem. Commun., 1343–1344 (1995).

  123. 123.

    T. Akasaka, S. Nagase, K. Kobayashi, T. Suzuki, T. Kato, K. Kikuchi, Y. Achiba, K. Yamamoto, H. Funasaka, and T. Takahashi: Synthesis of the First Adducts of the Dimetallofullerenes La2@C80 and Sc2@C84 by Addition of a Disilirane, Angew. Chem., Int. Ed. Engl., 34, 2139–2141 (1995).

  124. 124.

    T. Akasaka, E. Mitsuhida, W. Ando, K. Kobayashi, S. Nagase: Regioselective Addition of Silylene onto [70]Fullerene, J. Chem. Soc., Chem. Commun., 1529–1530 (1995).

  125. 125.

    T. Suzuki, Y. Maruyama, T. Kato, T. Akasaka, K. Kobayashi, S. Nagase, K. Yamamoto, H. Funasaka, and T. Takahashi: Chemical Reactivity of a Metallofullerene: EPR Study of Diphenylmethano-La@C82 Radicals, J. Am. Chem. Soc., 117, 9606–9607 (1995).

  126. 126.

    Y. Matsubara, H. Tada, S. Nagase, and Z. Yoshida: Intramolecular Charge Transfer Interaction in 1,3-Diphenyl-2-pyrazoline Ring-Fused C60, J. Org. Chem., 60, 5372–5373 (1995).

  127. 127.

    K. Kobayashi, S. Nagase, and T. Akasaka: A Theoretical Study of C80 and La2@C80, Chem. Phys. Lett., 245, 230–236 (1995).

  128. 128.

    S. Nagase: Polyhedral Compounds of the Heavier Group 14 Elements: Silicon, Germanium, Tin, and Lead, Acc. Chem. Res., 28, 469–476 (1995).

  129. 129.

    T. Akasaka, T. Kato, S. Nagase, K. Kobayashi, K. Yamamoto, H. Funasaka, and T. Takahashi: Chemical Derivatization of Endohedral Metallofullerene La@C82 with Digermirane, Tetrahedron, 52, 5015–5020 (1996).

  130. 130.

    T. Kato, T. Akasaka, K. Kobayashi, S. Nagase, K. Yamamoto, H. Funasaka, and T. Takahashi: ESR Study on the Reactivity of Two Isomers of LaC82 with Disilirane, App. Mag. Res., 11, 293–300 (1996).

  131. 131.

    Y. Miyake, S. Suzuki, Y. Kojima, K. Kikuchi, K. Kobayashi, S. Nagase, M. Kainosho, Y. Achiba, Y. Maniwa, and K. Fisher: Motion of Scandium Ions in Sc2C84 Observed by 45Sc Solution NMR, J. Phys. Chem., 100, 9579–9581 (1996).

  132. 132.

    T. Akasaka, S. Nagase, and K. Kobayashi: Recent Progress in the Chemistry of Fullerenes—Chemical Derivatization of Metallofullerenes, J. Synth. Org. Chem. Jpn., 54, 580–585 (1996).

  133. 133.

    F. H. Hennrich, R. H. Michel, A. Fischer, S. Richrad-Schneider, S. Gilb, M. M. Kappes, D. Fuchs, M. Bürk, K. Kobayashi, and S. Nagase: Isolation and Characterization of C80, Angew. Chem., Int. Ed. Engl., 35, 1732–1734 (1996).

  134. 134.

    S. Nagase, K. Kobayashi, and T. Akasaka Endohedral Metallofullerenes: New Spherical Cage Molecules with Interesting Properties, Bull. Chem. Soc. Jpn. (Accounts), 69, 2131–2142 (1996).

  135. 135.

    K. Kobayashi, S. Nagase, and T. Akasaka: Endohedral Dimetallofullerenes Sc2@C84 and La2@C80. Are the Metal Atoms Still Inside the Fullerene Cages? Chem. Phys. Lett., 261, 502–506 (1996).

  136. 136.

    K. Kobayashi and S. Nagase: Structures and Electronic States of Endohedral Dimetallofullerenes: M2@C80 (M = Sc, Y, La, Ce, Pr, Eu, Gd, Yb, and Lu), Chem. Phys. Lett., 262, 227–232 (1996).

  137. 137.

    M. Iyoda, S. Sasaki, F. Sultana, M. Yoshida, Y. Kuwatani, and S. Nagase: Mono- and Dianion of Benzoquinone-Linked [60]Fullerene, Tetrahedron Lett., 37, 7987–7990 (1996).

  138. 138.

    M. Iyoda, F. Sultana, A. Kato, M. Yoshida, Y. Kuwatani, M. Komatsu, and S. Nagase: Benzoquinone-Linked Fullerenes with a Pyrrolidine Spacer, Chem. Lett., 63–64 (1997).

  139. 139.

    S. Nagase, K. Kobayashi, and T. Akasaka: Recent Progress in Endohedral Dimetallofullerenes, J. Mol. Struct. (Theochem) (a special issue), 398/399, 221–227 (1997).

  140. 140.

    N. Takeda, H. Suzuki, N. Tokitoh, R. Okazaki, and S. Nagase: Reaction of a Sterically Hindered Silylene with Isocyanides: The First Stable Silylene-Lewis Base Complexes, J. Am. Chem. Soc., 119, 1456–1457 (1997).

  141. 141.

    T. Akasaka, S. Nagase, K. Kobayashi, M. Wälchli, K. Yamamoto, H. Funasaka, M. Kako, T. Hoshino, and T. Erata: 13C and 139La NMR Studies of La2@C80: First Evidence for Circular Motion of Metal Atoms in Endohedral Dimetallofullerenes, Angew. Chem., Int. Ed. Engl., 36, 1643–1645 (1997).

  142. 142.

    K. Kobayashi and S. Nagase: Silicon–Silicon Triple Bonds. Do Substituents Make Disilynes Synthetically Accessible? Organometallics, 16, 2489–2491 (1997).

  143. 143.

    K. Kobayashi and S. Nagase: Structures of the Ca@C82 Isomers. A Theoretical Prediction, Chem. Phys. Lett., 274, 226–230 (1997).

  144. 144.

    N. Tokitoh, K. Wakita, R. Okazaki, S. Nagase, P. v. R. Schleyer, and H. Jiao: A Stable Neutral Silaaromatic Compound, 2-{2,4,6-Tris[bis(trimethylsilyl)methyl]-2-silanaphthalene, J. Am. Chem. Soc., 119, 6951–6952 (1997).

  145. 145.

    N. Tokitoh, Y. Arai, R. Okazaki, and S. Nagase: Synthesis and Characterization of a Stable Dibismuthene: Evidence for a Bi–Bi Double Bond, Science, 277, 78–80 (1997).

  146. 146.

    S. Nagase and K. Kobayashi: Structural Study of Endohedral Metallofullerenes Sc2@C84 and Sc2@C74, Chem. Phys. Lett., 276, 55–61 (1997).

  147. 147.

    T. Kato, T. Akasaka, K. Kobayashi, S. Nagase, K. Kikuchi, Y. Achiba, T. Suzuki, and K. Yamamoto: Chemical Reactivities of Endohedral Metallofullerenes, J. Phys. Chem. Solids, 58, 1779–1783 (1997).

  148. 148.

    K. Kobayashi, S. Nagase, M. Yoshida, and E. Osawa: Endohedral Metallofullerenes. Are the Isolated Pentagon Rule and Fullerene Structures Always Satisfied? J. Am. Chem. Soc., 119, 12693–12694 (1997).

  149. 149.

    S. Nagase, K. Kobayashi, and T. Akasaka: Recent Advances in the Structural Determination of Endohedral Metallofullerenes, J. Comput. Chem., 19, 232–239 (1998).

  150. 150.

    K. Kobayashi and S. Nagase: Structures and Electronic States of M@C82 (M = Sc, Y, La, and Lanthanides), Chem. Phys. Lett., 282, 325–329 (1998).

  151. 151.

    N. Tokitoh, Y. Arai, T. Sasamori, R. Okazaki, S. Nagase, H. Uekusa, and Y. Ohashi: A Unique Crystalline-State Reaction of an Overcrowded Distibene with Molecular Oxygen: The First Example of a Single Crystal to a Single Crystal Reaction with an External Reagent, J. Am. Chem. Soc., 120, 433–434 (1998).

  152. 152.

    T. S. M. Wan, H. -W. Zhang, T. Nakane, Z. Xu, M. Inakuma, H. Shinohara, K. Kobayashi, and S. Nagase: Production, Isolation, and Electronic Properties of Missing Fullerenes: Ca@C72 and Ca@C74, J. Am. Chem. Soc., 120, 6806–6807 (1998).

  153. 153.

    H. Yamataka and S. Nagase: Theoretical Calculations on the Wittig Reaction Revisited, J. Am. Chem. Soc., 120, 7530–7536 (1998).

  154. 154.

    H. Suzuki, N. Tokitoh, R. Okazaki, S. Nagase, and M. Goto: Synthesis, Structure, and Reactivity of the First Kinetically Stabilized Silanethione, J. Am. Chem. Soc., 120, 11096–11105 (1998).

  155. 155.

    T. Akasaka, T. Suzuki, Y. Maeda, M. Ara, T. Wakahara, K. Kobayashi, S. Nagase, M. Kako, Y. Nakadaira, M. Fujisuka, and O. Ito: Photochemical Bissilylation of C60 with Disilane, J. Org. Chem., 64, 566–569 (1999).

  156. 156.

    S. Nagase, K. Kobayashi, and T. Akasaka: Unconventional Cage Structures of Endohedral Metallofullerenes, J. Mol. Struct. (Theochem) (a special issue for Prof. Morokuma), 461/462, 97–104 (1999).

  157. 157.

    K. Kobayashi and S. Nagase: Bonding Features in Endohedral Metallofullerenes. Topological Analysis of the Electron Density Distribution, Chem. Phys. Lett. 302, 312–316 (1999).

  158. 158.

    T. Akasaka, S. Okubo, T. Wakahara, K. Yamamoto, K. Kobayashi, S. Nagase, T. Kato, M. Kako, Y. Nakadaira, Y. Kitayama and K. Matsuura: Endohedrally Metal-Doped Heterofullerenes: La@C81N and La2@C79N, Chem. Lett., 945–946 (1999).

  159. 159.

    K.-y. Akiba, M. Yamashita, Y. Yamamoto, and S. Nagase: Synthesis and Isolation of Stable Hypervalent Carbon Compound (10-C-5) Bearing a 1,8-Dimethoxyanthracene Ligand, J. Am. Chem. Soc., 121, 10644–10645 (1999).

  160. 160.

    K. Kobayashi and S. Nagase: Theoretical Study of Structures and Dynamic Properties of Sc3@C82, Chem. Phys. Lett., 313, 45–51 (1999).

  161. 161.

    T. Akasaka, Y. Maeda, T. Wakahara, M. Okamura, M. Fujitsuka, O. Ito, K. Kobayashi, S. Nagase, M. Kako, Y. Nakadaira, and E. Horn: Novel Metal-Free Bis-silylation: C60-Sensitized Reaction of Disilirane with Benzonitrile, Org. Lett., 1, 1509–1512 (1999).

  162. 162.

    K. Wakita, N. Tokitoh, R. Okazaki, S. Nagase, P. v. R. Schleyer, and H. Jiao: Synthesis of Stable 2-Silanaphthalenes and their Aromaticity, J. Am. Chem. Soc., 121, 11336–11344 (1999).

  163. 163.

    A. Sekiguchi, N. Fukaya, M. Ichinohe, N. Takagi, and S. Nagase: Synthesis of Unsymmetrically Substituted Cyclotrigermenes and the First Example of Cis- Configuration around the Ge = Ge Double Bond, J. Am. Chem. Soc., 121, 11587–11588 (1999).

  164. 164.

    K. Wakita, N. Tokitoh, R. Okazaki, and S. Nagase: Synthesis and Properties of an Overcrowded Silabenzene Stable at Ambient Temperature, Angew. Chem., Int. Ed., 39, 634–636 (2000).

  165. 165.

    T. Akasaka, S. Okubo, M. Kondo, Y. Maeda, T. Wakahara, T. Kato, T. Suzuki, K. Yamamoto, K. Kobayashi, and S. Nagase: Isolation and Characterization of two Pr@C82 Isomers, Chem. Phys. Lett., 319, 153–156 (2000).

  166. 166.

    K. Hatano, N. Tokitoh, N. Takagi, and S. Nagase: The First Stable Heteracyclopropabenzene: Synthesis and Crystal Structure of a Silacyclopropabenzene, J. Am. Chem. Soc., 122, 4829–4830 (2000).

  167. 167.

    K. Wakita, N. Tokitoh, R. Okazaki, N. Takagi, and S. Nagase: Crystal Structure of a Stable Silabenzene and its Photochemical Valence Isomerization into the Corresponding Silabenzvalene, J. Am. Chem. Soc., 122, 5648–5649 (2000).

  168. 168.

    M. Moriyama, T. Sato, A. Yabe, K. Yamamoto, K. Kobayashi, S. Nagase, T. Wakahara, and T. Akasaka: Vibrational Spectroscopy of Endohedral Dimetallofullerene, La2@C80, Chem. Lett., 524–525 (2000).

  169. 169.

    M. Iyoda, K. Hara, Y. Kuwatani, and S. Nagase: Helical Tetrathiafulvalene Oligomers. Synthesis and Properties of Bi-, Ter-, and Quatertetrathiafulvalenes, Org. Lett., 2, 2217–2220 (2000).

  170. 170.

    T. Akasaka, M. T. H. Liu, Y. Niino, Y. Maeda, T. Wakahara, M. Okamura, K. Kobayashi, and S. Nagase: Photolysis of Diazirines in the Presence of C60: A Chemical Probe for Carbene/Diazomethane Partitioning, J. Am. Chem. Soc., 122, 7134–7135 (2000).

  171. 171.

    S. Nagase, K. Kobayashi, and N. Takagi: Triple Bonds between Heavier Group 14 Elements. A Theoretical Approach, J. Organomet. Chem. (a special issue), 611, 264–271 (2000).

  172. 172.

    Y. Maeda, R. Sato, T. Wakahara, M. Okamura, T. Akasaka, M. Fujitsuka, O. Ito, K. Kobayashi, S. Nagase, M. Kako, Y. Nakadaira, and E. Horn: C60-Sensitized Bis-silylation of Nitrile and Carbonyl Compounds with Disilirane, J. Organomet. Chem. (a special issue), 611, 414–419 (2000).

  173. 173.

    M. Fujitsuka, O. Ito, K. Kobayashi, S. Nagase, K. Yamamoto, T. Kato, T. Wakahara, and T. Akasaka: Transient Spectroscopic Properties of Endohedral Metallofullerenes, La@C82 and La2@C80, Chem. Lett., 902–903 (2000).

  174. 174.

    T. Akasaka, Y. Maeda, T. Wakahara, T. Mizushima, W. Ando, M. Wälchli, T. Suzuki, K. Kobayashi, S. Nagase, M. Kako, Y. Nakadaira, M. Fujitsuka, O. Ito, K. Yamamoto, and T. Erata: A First Photochemical Bis-germination of C60 with Digermirane, Org. Lett., 2, 2671–2674 (2000).

  175. 175.

    V. Y. Lee, M. Ichinohe, A. Sekiguchi, N. Takagi, and S. Nagase: The First Three-Membered Unsaturated Rings Consisting of Different Heavier Group 14 Elements: Disilagermirene with a Si=Si Double Bond and its Isomerization to a Silagermasilirene with a Ge=Si Double Bond, J. Am. Chem. Soc., 122, 9034–9035 (2000).

  176. 176.

    T. Akasaka, T. Wakahara, S. Nagase, K. Kobayashi, M. Wälchli, K. Yamamoto, M. Kondo, S. Shirakura, S. Okubo, Y. Maeda, T. Kato, M. Kako, Y. Nakadaira, X. Gao, E. V. Caemelbecke, and K. M. Kadish: La@C82 Anion. An Unusually Stable Metallofullerene, J. Am. Chem. Soc., 122, 9316–9317 (2000).

  177. 177.

    J. Lu, X. Zhang, X. Zhao, S. Nagase, and K. Kobayashi: Strong Metal-Cage Hybridization in Endohedral La@C82, Y@C82, and Sc@C82, Chem. Phys. Lett., 332, 219–224 (2000).

  178. 178.

    M. Yamashita, Y. Yamamoto, K. -y. Akiba, and S. Nagase: Synthesis of a Versatile Tridentate Anthracene Ligand and its Application for the Synthesis of Hypervalent Pentacoordinate Boron Compounds (10-B-5), Angew. Chem., Int. Ed., 39, 4055–4058 (2000).

  179. 179.

    Y. Maeda, S. Takahashi, T. Wakahara, T. Akasaka, Y. Sasaki, M. Fujitsuka, O. Ito, K. Kobayashi, S. Nagase, M. Kako, and Y. Nakadaira: Metal-Free Bis-Germylation: C60–Sensitizied Reaction of Digermirane with Benzonitrile, ITE Lett. Batt. New Tech. Med., 1, 408–411 (2000).

  180. 180.

    K. Goto, Y. Hino, T. Kawashima, M. Kaminaga, E. Yano, G. Yamamoto, N. Takagi, and S. Nagase: Synthesis and Crystal Structure of a Stable S-nitrosothiol Bearing a Novel Steric Protection Group and of the corresponding S-nitrothiol, Tetrahedron Lett., 41, 8479–8483 (2000).

  181. 181.

    T. Akasaka, T. Wakahara, S. Nagase, and K. Kobayashi: Silylfullerenes, J. Synth. Org. Chem. Jpn., 42, 1066–1076 (2000).

  182. 182.

    M. Kohno, S. Suzuki, H. Shiromaru, K. Kobayashi, S. Nagase, Y. Achiba, H. Kietzmann, B. Kessler, G. Gantefoer, and W. Eberhardt: Photoelectron Spectroscopy Study of MC −n (M = Sc, Y, and La, 5 < n < 20), J. Electron Spectrosc. Relat. Phenom., 112, 163–173 (2000).

  183. 183.

    Y. Sasaki, M. Fujitsuka, O. Ito, Y. Maeda, T. Wakahara, T. Akasaka, K. Kobayashi, S. Nagase, M. Kako, and Y. Nakadaira: Photoinduced Electron-Transfer Reactions between C60 and Cyclic Disiliranes (c-R2Si-X-SiR2; X = SiR2, CH2, O, NPh, S), Heterocycles, 54, 777–787 (2001).

  184. 184.

    K. Kobayashi, N. Takagi, and S. Nagase: Do Bulky Aryl Groups Make Stable Silicon–Silicon Triple Bonds Synthetically Accessible? Organometallics, 20, 234–236 (2001).

  185. 185.

    K. Kubozono, Y. Takabayashi, S. Kashino, M. Kondo, T. Wakahara, T. Akasaka, K. Kobayashi, S. Nagase, S. Emura, and K. Yamamoto: Structure of La2@C80 Studied by La K-edge XAFS, Chem. Phys. Lett., 335, 163–169 (2001).

  186. 186.

    T. Yoshida, Y. Kuwatani, K. Hara, M. Yoshida, H. Matsuyama, M. Iyoda, and S. Nagase: Copper (I), Silver (I), and Gold (I) Complexes of All-Z-Tribenzo[12]annulene, Tetrahedron Lett., 42, 53–56 (2001).

  187. 187.

    T. Akasaka, T. Wakahara, S. Nagase, K. Kobayashi, M. Wälchli, K. Yamamoto, M. Kondo, S. Shirakura, Y. Maeda, T. Kato, M. Kako, Y. Nakadaira, X. Gao, E. V. Caemelbecke, and K. M. Kadish: Structural Determination of the La@C82 Isomer, J. Phys. Chem. B, 105, 2971–2974 (2001).

  188. 188.

    N. Takagi, M. W. Schmidt, and S. Nagase: Ga–Ga Multiple Bond in Na2[Ar*GaGaAr*] (Ar* = C6H3-2,6-(C6H2-2,4,6-i-Pr3)2), Organometallics, 20, 1646–1651 (2001).

  189. 189.

    S. Hino, K. Umishima, K. Iwasaki, M. Aoki, K. Kobayashi, S. Nagase, T. J. S. Dennis, T. Nakane, and H. Shinohara: Ultraviolet Photoelectron Spectra of Metallofullerenes: Two Ca@C82 Isomers, Chem. Phys. Lett., 337, 65–71 (2001).

  190. 190.

    H. Inoue, H. Yamaguchi, S. -i. Iwamatsu, T. Uozaki, T. Suzuki, T. Akasaka, S. Nagase, and S. Murata: Photooxygenative Partial Ring Cleavage of Bis(fulleroid): Synthesis of a Novel Fullerene Derivative with a 1,2-membered Ring, Tetrahedron Lett., 42, 895–897 (2001).

  191. 191.

    Y. Maeda, T. Wakahara, T. Akasaka, M. Fujitsuka, O. Ito, K. Kobayashi, and S. Nagase: Metal-Free Bis-Silylation and Bis-Germylation: C60-Sensitized Reaction of Unsaturated Compounds with Disilirane and Digermirane, Recent Res. Devel. Organic Chem., 5, 151–163 (2001).

  192. 192.

    Z. Slanina, X. Zhao, X. Grabuleda, M. Ozawa, F. Uhlík, P. Ivanov, K. Kobayashi, and S. Nagase: Mg@C72 MNDO/d Evaluation of the Isomeric Composition, J. Mol. Graphics Mod. (a special issue for Prof. Osawa), 19, 252–255 (2001).

  193. 193.

    K. Kobayashi, Y. Sano, and S. Nagase: Theoretical Study of Endohedral Metallofullerenes: Sc3−nLanN@C80 (n = 0–3), J. Comput. Chem. (a special issue for Prof. Schleyer), 22, 1353–1358 (2001).

  194. 194.

    K. -y. Akiba, R. Nadano, W. Satoh, Y. Yamamoto, S. Nagase, Z. Ou, X. Tan, and K. M. Kadish: Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus (V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O), Inorg. Chem., 40, 5553–5567 (2001).

  195. 195.

    M. Ichinohe, Y. Arai, A. Sekiguchi, N. Takagi, and S. Nagase: A New Approach to the Synthesis of Unsymmetrical Disilenes and Germasilene: Unusual 29Si NMR Chemical Shifts and Regiospecific Methanol Addition, Organometallics, 20, 4141–4143 (2001).

  196. 196.

    M. Iyoda, K. Nakao, T. Kondo, Y. Kuwatani, M. Yoshida, H. Matsuyama, K. Fukami, and S. Nagase: [6.6](1,8)Naphthalenophane Containing 2,2′-bithienyl-5,5′-ylene Bridges, Tetrahedron Lett., 42, 6869–6872 (2001).

  197. 197.

    N. Takagi and S. Nagase: A Silicon–Silicon Triple Bond Surrounded by Bulky Terphenyl Groups, Chem. Lett. (Dedicated to Prof. Sakurai), 966–967 (2001).

  198. 198.

    A. Han, T. Wakahara, Y. Maeda, Y. Niino, T. Akasaka, K. Yamamoto, M. Kako, Y. Nakadaira, K. Kobayashi, and S. Nagase: Photochemical Cycloaddition of C78 with Disilirane, Chem. Lett. (Dedicated to Prof. Sakurai), 974–975 (2001).

  199. 199.

    M. Kimura and S. Nagase: The Quest of Stable Silanones. Substituent Effects, Chem. Lett. (Dedicated to Prof. Sakurai), 1098–1099 (2001).

  200. 200.

    N. Takagi and S. Nagase: Substituent Effects on Germanium-Germanium and Tin-Tin Triple Bonds, Organometallics, 20, 5498–5500 (2001).

  201. 201.

    M. Iyoda, M. Hasegawa, Y. Kuwatani, H. Nishikawa, K. Fukami, S. Nagase, and G. Yamamoto: Effects of Molecular Association in the Radical-Cations of 1,8-Bis(ethylenedithiotetrathiafulvalenyl)naphthalene, Chem. Lett., 1146–1147 (2001).

  202. 202.

    K. Goto, Y. Hino, Y. Takahashi, T. Kawashima, G. Yamamoto, N. Takagi, and S. Nagase: Synthesis, Structure, and Reactions of the First Stable Aromatic S-Nitrosothiol Bearing a Novel Dendrimer-type Steric Protection Group, Chem. Lett. (Dedicated to Prof. Sakurai), 1204–1205 (2001).

  203. 203.

    T. Wakahara, A. Han, Y. Maeda, Y. Niino, T. Akasaka, K. Yamamoto, M. Kako, Y. Nakadaira, K. Kobayashi, and S. Nagase: Photochemical Cycloaddtion of C76 with Disilirane, ITE Lett. Batt. New Tech. Med., 2, 649–653 (2001).

  204. 204.

    A. Sekiguchi, Y. Ishida, N. Fukaya, M. Ichinohe, N. Takagi, and S. Nagase: The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels–Alder Reaction, J. Am. Chem. Soc., 124, 1158–1159 (2002).

  205. 205.

    T. Sasamori, N. Takeda, M. Fujio, M. Kimura, S. Nagase, and N. Tokitoh: Synthesis and Structure of the First Stable Phosphabismuthene, Angew. Chem. Int. Ed., 41, 139–141 (2002).

  206. 206.

    J. Kobayashi, K. Goto, T. Kawashima, M. W. Schmidt, and S. Nagase: Synthesis, Structure, and Bonding Properties of 5-Carbaphophatranes: A New Class of Main Group Atrane, J. Am. Chem. Soc., 124, 3703–3712 (2002).

  207. 207.

    T. Sasamori, Y. Arai, N. Takeda, R. Okazaki, Y. Furukawa, M. Kimura, S. Nagase, and N. Tokitoh: Syntheses, Structures and Properties of Kinetically Stabilized Distibenes and Dibismuthenes, Novel Doubly Bonded Systems between Heavier Group 15 Elements, Bull. Chem. Soc. Jpn. (headline articles), 75, 661–673 (2002).

  208. 208.

    T. Wakahara, A. Han, Y. Niino, Y. Maeda, T. Akasaka, T. Suzuki, K. Yamamoto, M. Kako, Y. Nakadaira, K. Kobayashi, and S. Nagase: Silylation of Higher Fullerenes, J. Mater. Chem., 12, 2061–2064 (2002).

  209. 209.

    T. Wakahara, S. Okubo, M. Kondo, Y. Maeda, T. Akasaka, M. Waelchli, M. Kako, K. Kobayashi, S. Nagase, T. Kato, K. Yamamoto, X. Gao, E. V. Caemelbecke, and K. M. Kadish: Ionization and Structural Determination of the Major Isomer of Pr@C82, Chem. Phys. Lett., 360, 235–239 (2002).

  210. 210.

    T. Wakahara, Y. Niino, T. Kato, Y. Maeda, T. Akasaka, M. T. H. Liu, K. Kobayashi, and S. Nagase: A Nonspectroscopic Method to Determine the Photolytic Decomposition Pathways of 3-Chloro-3-alkydiazirine; Carbene, Diazo and Rearrangement in Excited State, J. Am. Chem. Soc., 124, 9465–9468 (2002).

  211. 211.

    K. Kobayashi and S. Nagase: A Stable Unconventional Structure of Sc2@C66 found by Density Functional Calculations, Chem. Phys. Let., 362, 373–379 (2002).

  212. 212.

    N. Takagi and S. Nagase: Theoretical Study of an Isolable Compound with a Short Silicon–Silicon Triple Bond, (tBu3Si)2MeSiSi≡SiSiMe(SitBu3)2, Eur. J. Inorg. Chem., 2775–2778 (2002).

  213. 213.

    N. Tokitoh, T. Sasamori, N. Takeda, and S. Nagase: Systematic Studies on Homo- and Heteronuclear Doubly Bonded Compounds of Heavier Group 15 Elements, Phosphorus, Sulfur Silicon Relat. Elem., 177, 1473–1476 (2002).

  214. 214.

    K.-y. Akiba, S. Matsukawa, T. Adachi, Y. Yamamoto, S. Y. Re, and S. Nagase: Effect of σ*P–O Orbital on Structure, Stereomutation, and Reactivity of C-Apical O-Equatorial Spirophosphoranes, Phosphorus, Sulfur Silicon Relat. Elem., 177, 1671–1675 (2002).

  215. 215.

    K. Goto, J. Kobayashi, T. Kawashima, M. W. Schmidt, and S. Nagase: Bonding Properties of 5-Carbaphosphatranes, Phosphorus, Sulfur Silicon Relat. Elem, 177, 2037–2038 (2002).

  216. 216.

    N. Tokitoh, K. Hatano, T. Sasaki, T. Sasamori, N. Takeda, N. Takagi, and S. Nagase: Synthesis and Isolation of the First Germacyclopropabenzene: A Study to Elucidate the Intrinsic Factor for the Ring Deformation of Cyclopropabenzene Skeletons, Organometallics, 21, 4309–4311 (2002).

  217. 217.

    S. Matsukawa, S. Kojima, K. Kajiyama, Y. Yamamoto, K. -y. Akiba, S. Ru, and S. Nagase: Characteristic Reactions and Properties of C-Apical O-Equatorial (O-cis) Spirophosphoranes: Effect of the σ*P–O Orbital in the Equatorial Plane and Isolation of a Hexacoordinate Oxaphosphetane as an Intermediate of the Wittig Type Reaction of 10-P-5 Phosphoranes, J. Am. Chem. Soc., 124, 13154–13170 (2002).

  218. 218.

    Y. Niino, T. Wakahara, T. Akasaka, M. T. H. Liu, K. Kobayashi, and S. Nagase: Photochemical Decomposition of Pyrazoline Produced in the Reaction of C60 with Diazoadamantane, ITE Lett. Batt. New Tech. Med., 3, 82–84 (2002).

  219. 219.

    K. Kobayashi and S. Nagase: Theoretical Calculations of Vibrational Modes in Endohedral Metallofullerenes: La@C82 and Sc2@C84, Mol. Phys. (a special issue for Prof. Yoshimine), 101, 249–254 (2003).

  220. 220.

    G. M. A. Rahman, Y. Maeda, T. Wakahara, M. Kako, S. Sato, M. Okamura, T. Akasaka, K. Kobayashi, and S. Nagase: Photochemical Bissilylation of C70 with Disilane, ITE Lett. Batt. New Tech. Med., 4, 60–66 (2003).

  221. 221.

    T. Wakahara, G. M. A. Rahman, Y. Maeda, M. Kako, S. Sato, M. Okamura, T. Akasaka, K. Kobayashi, and S. Nagase: Redox Properties of Carbosilylated and Hydrosilykated Fullerene Derivatives, ITE Lett. Batt. New Tech. Med., 4, 67–73 (2003).

  222. 222.

    T. Wakahara, M. Kako, Y. Maeda, T. Akasaka, K. Kobayashi, and S. Nagase: Synthesis and Characterization of Cyclic Silicon Compounds of Fullerenes, Cur. Org. Chem., 7, 927–943 (2003).

  223. 223.

    K. Nagayoshi, K. Kitaura, S. Koseki, S. Re, K. Kobayashi, Y. -K. Choe, and S. Nagase: Calculation of Packing Structure of Methanol Solid Using Ab Initio Lattice Energy at the MP2 level, Chem. Phys. Lett., 369, 597–604 (2003).

  224. 224.

    J. Lu, S. Re, Y. -K. Choe, S. Nagase, Y. Zhou, R. Han, L. Peng, X. Zhang, and X. Zhao: Theoretical Identification of Carbon Clusters C20: Prevalence of the Monocyclic Isomer and Existences of the Smallest Fullerene and Bowl Isomer, Phys. Rev. B, 67, 125415 (7 pages) (2003).

  225. 225.

    J. Lu and S. Nagase: Structural and Electronic Properties of Metal-Encapsulated Silicon Clusters in a Large Size Range, Phys. Rev. Lett., 90, 115506 (4 pages) (2003).

  226. 226.

    J. Lu and S. Nagase: Metal-Doped Germanium Clusters MGen at the Sizes of n = 12 and 10: Divergence of Growth Patterns from the MSin Clusters, Chem. Phys. Lett., 372, 394–398 (2003).

  227. 227.

    Z. Slanina, K. Kobayashi, and S. Nagase: Ca@C72 IPR and Non-IPR Structures; Computed Temperature Development of their Relative Concentrations, Chem. Phys. Lett., 372, 810–814 (2003).

  228. 228.

    N. Takagi, K. Yamazaki, and S. Nagase: Theoretical Investigation of Triple Bonding between Transition Metal and Main Group Elements in (η5-C5H5)(CO)2M≡ER (M = Cr, Mo, W; E = Si, Ge, Sn, Pb; R = Terphenyl Groups), Bull. Korean Chem. Soc. (a special issue), 24, 832–836 (2003).

  229. 229.

    K. Nagayoshi, T. Ikeda, K. Kitaura, and S. Nagase: Computational Procedure of Lattice Energy using the Ab Initio MO Method, J. Theoret. Comput. Chem., 2, 233–244 (2003).

  230. 230.

    K. Kobayashi, S. Nagase, Y. Maeda, T. Wakahara, and T. Akasaka: La2@C80: Is the Circular Motion of Two La Atoms Controllable by Exohedral Addition? Chem. Phys. Lett., 374, 562–566 (2003).

  231. 231.

    K. Kobayashi, S. Nagase, and K. -P. Dinse: A Theoretical Study of Spin Density Distributions and Isotropic Hyperfine Couplings of N and P atoms in N@C60, P@C60, N@C70, N@C60(CH2)6, and N@C60(SiH2)6, Chem. Phys. Lett., 377, 93–98 (2003).

  232. 232.

    Y. Maeda, G. M. A. Rahman, T. Wakahara, M. Kako, M. Okamura, S. Sato, T. Akasaka, K. Kobayashi, and S. Nagase: Synthesis and Characterization of Tetrakis-silylated C60 Isomers, J. Org. Chem., 68, 6791–6794 (2003).

  233. 233.

    T. Wakahara, Y. Maeda, M. Kako, T. Akasaka, K. Kobayashi, and S. Nagase: Silylation of Fullerenes with Active Species in Photolysis of Polysilane, J. Organomet. Chem., 685, 177–188 (2003).

  234. 234.

    T. Tajima, K. Hatano, T. Sasaki, T. Sasamori, N. Takeda, N. Tokitoh, N. Takagi, and S. Nagase: Syntheses and Structures of Silicon Analogues of Cyclopropabenzenes, J. Organomet. Chem., 686, 118–126 (2003).

  235. 235.

    M. T. H. Liu, Y. -K. Choe, M. Kimura, K. Kobayashi, S. Nagase, T. Wakahara, Y. Niino, M. Ishituka, and T. Akasaka: The Effect of Substituents on the Thermal Decomposition of Diazirines: Experimental and Computational Studies, J. Org. Chem., 68, 7471–7478 (2003).

  236. 236.

    J. Lu, S. Nagase, L. Peng, and S. Zhang: Strongly Size-Dependent Electronic Properties in C60-Encapsulated Zigzag Nanotubes and Lower Size Limit of Carbon Nanopeapods, Phys. Rev. B, 68, 121402 (4 pages) (2003).

  237. 237.

    T. Wakahara, Y. Matsunaga, A. Katayama, Y. Maeda, M. Kako, T. Akasaka, M. Okamura, T. Kato, Y. -K. Choe, K. Kobayashi, S. Nagase, H. Huang, and M. Ata: A Comparison of the Photochemical Reactivity between N@C60 and C60: Photolysis with Disilirane, Chem. Commun., 2940–2941 (2003).

  238. 238.

    Z. Slanina, K. Kobayashi, and S. Nagase: Temperature Development in a set of C60H36 Isomers, Chem. Phys. Lett., 382, 211–215 (2003).

  239. 239.

    Z. Chen, A. Hirsch, S. Nagase, W. Thiel, and P. v. R. Schleyer: Spherical Sila- and Germa-Homoaromaticity, J. Am. Chem. Soc., 125, 15507–15511 (2003).

  240. 240.

    B. Cao, T. Wakahara, Y. Maeda, A. Han, T. Akasaka, T. Kato, K. Kobayashi, and S. Nagase: Lanthanum Endohedral Metallofulleropyrrolidines: Synthesis, Isolation, and EPR Characterization, Chem. Eur. J., 10, 716–720 (2004).

  241. 241.

    Z. Chen, S. Nagase, A. Hirsch, R. C. Haddon, W. Thiel, and P. v. R. Schleyer: Side-Wall Opening of Single-Walled Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study, Angew. Chem. Int. Ed., 43, 1552–1554 (2004).

  242. 242.

    Z. Slanina, K. Kobayashi, and S. Nagase: Ca@C82 Isomers: Computed Temperature Dependence of Relative Concentrations, J. Chem. Phys., 120, 3397–3400 (2004).

  243. 243.

    Z. Slanina, K. Ishimura, K. Kobayashi, and S. Nagase: C72 Isomers: The IPR-Satisfying Cage is Disfavored by Both Energy and Entropy, Chem. Phys. Lett., 384, 114–118 (2004).

  244. 244.

    S. Re and S. Nagase: How is the CH/π Interaction Important for Molecular Recognition? Chem. Commun., 658–659 (2004).

  245. 245.

    S. -i. Iwamatsu, T. Uozaki, K. Kobayashi, S. Re, S. Nagase, and S. Murata: A Bowel-Shaped Fullerene Encapsulates a Water into the Cage, J. Am. Chem. Soc., 126, 2668–2669 (2004).

  246. 246.

    Z. Slanina, K. Kobayashi, and S. Nagase: Ca@C74 Isomers: Relative Concentrations at Higher Temperatures, Chem. Phys., 301, 153–157 (2004).

  247. 247.

    Z. Slanina, K. Kobayashi, and S. Nagase: Computed Temperature Development of the Relative Stabilities of La@C82 Isomers, Chem. Phys. Lett., 388, 74–78 (2004).

  248. 248.

    T. Wakahara, J. Kobayashi, M. Yamada, Y. Maeda, T. Tsuchiya, M. Okamura, T. Akasaka, M. Waelchli, K. Kobayashi, S. Nagase, T. Kato, M. Kako, K. Yamamoto, and K. M. Kadish: Characterization of Ce@C82 and Its Anion, J. Am. Chem. Soc., 126, 4883–4887 (2004).

  249. 249.

    J. Lu, S. Nagase, S. Zhang, and L. Peng: Energetic, Geometric, and Electronic Evolutions of K-Doped Single-Wall Carbon Nanotube Ropes with K Intercalation Concentration, Phys. Rev. B, 69, 205304 (4 pages) (2004).

  250. 250.

    Y. Maeda, Y. Matsunaga, T. Wakahara, S. Takahashi, T. Tsuchiya, M. O. Ishitsuka, T. Hasegawa, T. Akasaka, M. T. H. Liu, K. Kokura, E. Horn, K. Yoza, T. Kato, S. Okubo, K. Kobayashi, S. Nagase, and K. Yamamoto: Isolation and Characterization of a Carbene Derivative of La@C82, J. Am. Chem. Soc., 126, 6858–6859 (2004).

  251. 251.

    Y. Ono, Y. Fujii, S. Nagase, and T. Ishida: A Density Functional Theory Study Applied for Carbon Isotope Effects in the Non-Aqueous [Cu(CO)]+/CO System, Chem. Phys. Lett., 390, 71–78 (2004).

  252. 252.

    B. Cao, T. Wakahara, T. Tsuchiya, M. Kondo, Y. Maeda, G. M. A. Rahman, T. Akasaka, K. Kobayashi, S. Nagase, and K. Yamamoto: Isolation, Characterization, and Theoretical Study of La2@C78, J. Am. Chem. Soc., 126, 9164–9165 (2004).

  253. 253.

    M. O. Ishitsuka, Y. Niino, T. Wakahara, T. Akasaka, M. T. H. Liu, K. Kobayashi, and S. Nagase: A Verification of the Photolytic Decomposition Pathways of 3-Tert-Butyl-3-Chlorodiazirine Based on the Application of the C60 Probe Technique, Tetrahedron Lett., 45, 6321–6322 (2004).

  254. 254.

    J. Lu, S. Nagase, S. Zhang, and L. Peng: Counterion-Driven Spontaneous Polymerizaton of the Linear C n−60 Chains in the fcc Fullerides and its Magic Number Behavior, Chem. Phys. Lett., 395, 199–204 (2004).

  255. 255.

    J. Lu, S. Nagase, D. Yu, H. Ye, R. Han, Z. Gao, S. Zhang, and L. Peng: Amphoteric and Controllable Doping of Carbon Nanotubes by Encapsulation of Organic and Organometallic Molecules, Phys. Rev. Lett., 93, 116804 (4 pages) (2004).

  256. 256.

    Z. Slanina, F. Uhlik, L. Adamowicz, K. Kobayashi, and S. Nagase: Electronic Excited States and Stabilities of Fullerenes: Isomers of C78 and Mg@C72, Int. J. Quantum Chem., 100, 610–616 (2004).

  257. 257.

    Z. Slanina, O. V. Boltalina, K. Kobayashi, and S. Nagase: B3LYP/6-31G* Computations of C60F36 (g) Isomers, Fullerenes, Nanotubes, Carbon Nanostruct., 12, 691–695 (2004).

  258. 258.

    Y. Ishida, A. Sekiguchi, K. Kobayashi, and S. Nagase: 1,6,7-Trigermabicyclo[4.1.0]hept-3-en-7-yl: The Isolable Bicyclic Germyl Radical, Organometallics, 23, 4891–4896 (2004).

  259. 259.

    K. Shimada, K. Goto, T. Kawashima, N. Takagi, Y. -K. Choe, and S. Nagase: Isolation of a Se-Nitrososelenol: A New Class of Reactive Nitrogen Species Relevant to Protein Se-Nitrosation, J. Am. Chem. Soc., 126, 13238–13239 (2004).

  260. 260.

    J. Lu, S. Nagase, S. Zhang, and L. Peng: A New Approach to Simulate the Depolymerization Process of a Two-Dimensional Hexagonal C60 Polymer, Chem. Phys. Lett., 398, 486–488 (2004).

  261. 261.

    T. Wakahara, A. Sakuraba, Y. Iiduka, M. Okamura, T. Tsuchiya, Y. Maeda, T. Akasaka, S. Okubo, T. Kato, K. Kobayashi, S. Nagase, and K. M. Kadish: Chemical Reactivity and Redox Property of Sc3@C82, Chem. Phys. Lett., 398, 553–556 (2004).

  262. 262.

    T. Tsuchiya, T. Wakahara, S. Shirakura, Y. Maeda, T. Akasaka, K. Kobayashi, S. Nagase, T. Kato, and K. M. Kadish: Reduction of Endohedral Metallofullerenes: A Convenient Method for Isolation, Chem. Mater., 16, 4343–4346 (2004).

  263. 263.

    Y. Maeda, S. Kimura, Y. Hirashima, M. Kanda, Y. Lian, T. Wakahara, T. Akasaka, T. Hasegawa, H. Tokumoto, T. Shimizu, H. Kataura, Y. Miyauchi, S. Maruyama, K. Kobayashi, and S. Nagase: Dispersion of Single-Walled Carbon Nanotube Bundles in Nonaqueous Solution, J. Phys. Chem. B, 108, 18395–18397 (2004).

  264. 264.

    S. -i. Iwamatsu, T. Kuwayama, K. Kobayashi, S. Nagase, and S. Murata: Regioselective Carbon–Carbon Bond Cleavage of an Open-Cage Diketone Derivative of [60]Fullerene by Reaction with Aromatic Hydrazones, Synthesis, 2962–2964 (2004).

  265. 265.

    Z. Slanina, L. Adamowicz, K. Kobayashi, and S. Nagase: Gibbs Energy-Based Treatment of Metallofullerenes: Ca@C72, Ca@C74, Ca@C82, and La@C82, Mol. Sim., 31, 71–77 (2005).

  266. 266.

    Y. Maeda, J. Miyashita, T. Hasegawa, T. Wakahara, T. Tsuchiya, L. Feng, Y. Lian, T. Akasaka, K. Kobayashi, S. Nagase, M. Kako, K. Yamamoto, and K. M. Kadish: Chemical Reactivities of the Cation and Anion of M@C82 (M = Y, La, and Ce), J. Am. Chem. Soc., 127, 2143–2146 (2005).

  267. 267.

    T. Sasamori, E. Mieda, N. Nagahora, N. Takeda, N. Takagi, S. Nagase, and N. Tokitoh: Systematic Studies on Redox Behavior of Homonuclear Double-Bond Compounds of Heavier Group 15 Elements, Chem. Lett., 166–167 (2005).

  268. 268.

    M. Yamashita, Y. Yamamoto, K. -y. Akiba, D. Hashizume, F. Iwasaki, N. Takagi, and S. Nagase: Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton—Elucidation of Hypervalent Interaction Based on X-ray analysis and DFT Calculation, J. Am. Chem. Soc., 127, 4354–4371 (2005).

  269. 269.

    J. Lu, S. Nagase, Y. Maeda, T. Wakahara, T. Nakahodo, T. Akasaka, D. Yu, Z. Gao, R. Han, and H. Ye: Adsorption Configuration of NH3 on Single-Wall Carbon Nanotubes, Chem. Phys. Lett., 405, 90–92 (2005).

  270. 270.

    L. Feng, T. Wakahara, T. Tsuchiya, Y. Maeda, Y. Lian, T. Akasaka, N. Mizorogi, K. Kobayashi, S. Nagase, and K. M. Kadish: Structural Characterization of Y@C82, Chem. Phys. Lett., 405, 274–277 (2005).

  271. 271.

    M. Yamada, L. Feng, T. Wakahara, T. Tsuchiya, Y. Maeda, Y. Lian, M. Kako, T. Akasaka, T. Kato, K. Kobayashi, and S. Nagase: Synthesis and Characterization of Exohedrally Silylated M@C82 (M = Y and La), J. Phys. Chem. B, 109, 6049–6051 (2005).

  272. 272.

    K. -y. Akiba, Y. Moriyama, M. Mizozoe, H. Inohara, T. Nishii, Y. Yamamoto, M. Minoura, D. Hashizume, F. Iwasaki, N. Takagi, K. Ishimura, and S. Nagase: Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand, J. Am. Chem. Soc., 127, 5893–5901 (2005).

  273. 273.

    M. Katouda, M. Kobayashi, H. Nakai, and S. Nagase: Practical Performance Assessment of Accompanying Coordinate Expansion Recurrence Relation Algorithm for Computation of Electron Repulsion Integrals, J. Theoret. Comput. Chem., 4, 139–149 (2005).

  274. 274.

    T. Tsuchiya, T. Wakahara, Y. Maeda, T. Akasaka, M. Waelchli, T. Kato, N. Mizorogi, K. Kobayashi, and S. Nagase: 2D NMR Characterization of the La@C82 Anion, Angew. Chem. Int. Ed., 44, 3282–3285 (2005).

  275. 275.

    S-i. Iwamatsu, S. Murata, Y. Andoh, M. Minoura, K. Kobayashi, N. Mizorogi, and S. Nagase: Open-Cage Fullerene Derivatives Suitable for the Encapsulation of a Hydrogen Molecule, J. Org. Chem., 70, 4820–4825 (2005).

  276. 276.

    Z. Slanina, S.-L. Lee, L. Adamowicz, F. Uhlik, and S. Nagase: Computed Structure and Energetics of La@C60, Int. J. Quantum Chem., 104, 272–277 (2005).

  277. 277.

    Y. Rikiishi, Y. Kashino, H. Kusai, Y. Takabayashi, E. Kuwahara, Y. Kubozono, T. Kambe, T. Takenobu, Y. Iwasa, N. Mizorogi, S. Nagase, and S. Okada: Metallic Phase in the Metal-Intercalated Higher Fullerene Rb8.8(7)C84, Phys. Rev. B, 71, 224118 (6 pages) (2005).

  278. 278.

    J. Lu, S. Nagase, S. Re, X. Zhang, D. Yu, J. Zhang, R. Han, Z. Gao, H. Ye, S. Zhang, and L. Peng: Interplay of Single-Wall Carbon Nanotubes and Encapsulated La@C82, La2@C80, and Sc3N@C80, Phys. Rev. B, 71, 235417 (5 pages) (2005).

  279. 279.

    J. Lu, S. Nagase, X. Zhang, Y. Maeda, T. Wakahara, T. Nakahodo, T. Tsuchiya, T. Akasaka, D. Yu, Z. Gao, R. Han, and H. Ye: Structural Evolution of [2 + 1] Cycloaddition Derivatives of Single-Wall Carbon Nanotubes: From Open Structure to Closed Three-Membered Ring Structure with Increasing Tube Diameter, J. Mol. Struct. (Theochem), 725, 255–257 (2005).

  280. 280.

    H. Nikawa, T. Kikuchi, T. Wakahara, T. Nakahodo, T. Tsuchiya, G. M. Rahman, T. Akasaka, Y. Maeda, K. Yoza, E. Horn, K. Yamamoto, N. Mizorogi, and S. Nagase: Missing Metallofullerene La@C74, J. Am. Chem. Soc., 127, 9684–9685 (2005).

  281. 281.

    Y. Iiduka, O. Ikenaga, A. Sakuraba, T. Wakahara,T. Tsuchiya, Y. Maeda, T. Nakahodo, T. Akasaka, M. Kako, N. Mizorogi, and S. Nagase: Chemical Reactivity of Sc3N@C80 and La2@C80, J. Am. Chem. Soc., 127, 9956–9957 (2005).

  282. 282.

    Y. -K. Choe and S. Nagase: Effect of the Axial Cysteine Ligand on the Electronic Structure and Reactivity of High-Valent Iron (IV) Oxo-Porphyrins (Compound I): A Theoretical Study, J. Comput. Chem., 26, 1600–1611 (2005).

  283. 283.

    Z. Slanina and S. Nagase: Sc3N@C80: Computations on the Two-Isomer Equilibrium at High Temperatures, ChemPhysChem., 6, 2060–2063 (2005).

  284. 284.

    Y. Maeda, S. Kimura, M. Kanda, Y. Hirashima, T. Hasegawa, T. Wakahara, Y. Lian, T. Nakahodo, T. Tsuchiya, T. Akasaka, J. Lu, X. Zhang, Z. Gao, Y. Yu, S. Nagase, S. Kazaoui, N. Minami, T. Shimizu, H. Tokumoto, and R. Saito: Large-Scale Separation of Metallic and Semiconducting Single-Walled Carbon Nanotubes, J. Am. Chem. Soc., 127, 10287–10290 (2005).

  285. 285.

    M. Saito, R. Haga, M. Yoshioka, K. Ishimura, and S. Nagase: The Aromacity of the Stannole Dianion, Angew. Chem. Int. Ed., 44, 6553–6556 (2005).

  286. 286.

    Y. Maeda, J. Miyashita, T. Hasegawa, T. Wakahara, T. Tsuchiya, T. Nakahodo, T. Akasaka, N. Mizorogi, K. Kobayashi, S. Nagase, T. Kato, N. Ban, H. Nakajima, and Y. Watanabe: Reversible and Regioselective Reaction of La@C82 with Cyclopentadiene, J. Am. Chem. Soc., 127, 12190–12191 (2005).

  287. 287.

    Y. Iiduka, T. Wakahara, T. Nakahodo, T. Tsuchiya, A. Sakuraba, Y. Maeda, T. Akasaka, K. Yoza, E. Horn, T. Kato, M. T. H. Liu, N. Mizorogi, K. Kobayashi, and S. Nagase: Structural Determination of Metallofullerene Sc3C82 Revisited: A Surprising Finding, J. Am. Chem. Soc., 127, 12500–12501 (2005).

  288. 288.

    W. Song, M. Ni, J. Lu, Z. Gao, S. Nagase, D. Yu, H. Ye, and X. Zhang: Encapsulations of La@C82 and La2@C80 inside Single-Walled Boron Nitride Nanotubes, J. Mol. Struct. (Theochem), 730, 121–124 (2005).

  289. 289.

    M. Fujitsuka, O. Ito, Y. Maeda, T. Wakahara, T. Tsuchiya, T. Nakahodo, T. Akasaka, N. Mizorogi, and S. Nagase: Photophysical and Photochemical Properties of the La@C82 Anion, Chem. Lett., 1600–1601 (2005).

  290. 290.

    W. Song, M. Ni, J. Lu, Z. Gao, S. Nagase, D. Yu, H. Ye, and X. Zhang: Electronic Structures of Semiconducting Double-Walled Carbon Nanotubes: Important Effect of Interlay Interaction, Chem. Phys. Lett., 414, 429–433 (2005).

  291. 291.

    M. Yamada, T. Nakahodo, T. Wakahara, T. Tsuchiya, Y. Maeda, T. Akasaka, M. Kako, K. Yoza, E. Horn, N. Mizorogi, K. Kobayashi, and S. Nagase: “Positional Control of Encapsulated Atoms inside a Fullerene Cage by Exohedral Addition, J. Am. Chem. Soc., 127, 14570–14571 (2005).

  292. 292.

    L. Fang, T. Nakahodo, T. Wakahara, T. Tsuchiya, Y. Maeda, T. Akasaka, T. Kato, E. Horn, K. Yoza, N. Mizorogi, and S. Nagase: A Singly Bonded Derivative of Endohedral Metallofullerene:La@C82CBr(COOC2H5)2, J. Am. Chem. Soc., 127, 17136–17137 (2005).

  293. 293.

    H. Nikawa, T. Nakahodo, T. Tsuchiya, T. Wakahara, G. M. A. Rahman, T. Akasaka, Y. Maeda, M. T. H. Liu, A. Meguro, S. Kyushin, H. Matsumoto, N. Mizorogi, and S. Nagase: S-Heterocyclic Carbene with a Disilane Backbone, Angew. Chem. Int. Ed., 44, 7567–7570 (2005).

  294. 294.

    M. Karni, Y. Apeloig, N. Takagi, and S. Nagase: Ab Initio and DFT Study of the 29Si NMR Chemical Shifts in RSi≡SiR, Organometallics, 24, 6319–6330 (2005).

  295. 295.

    Z. Slanina, F. Uhlik, L. Adamowicz, and S. Nagase: Computing Fullerene Encapsulation of Non-Metallic Molecules: N2@C60 and NH3@C60, Mol. Sim., 31, 801–806 (2005).

  296. 296.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: Enhancement of Fullerene Stabilities from Excited Electronic States, Comput. Lett., 1, 304–312 (2005).

  297. 297.

    K. Ishimura, P. Pulay, and S. Nagase: A New Parallel Algorithm of MP2 Energy Calculations, J. Comput. Chem., 27, 407–413 (2006).

  298. 298.

    Y. Sugiyama, T. Sasamori, Y. Hosoi, Y. Furukawa, N. Takagi, S. Nagase, and N. Tokitoh: Synthesis and Properties of a New Kinetically Stabilized Digermyne: New Insights for a Germanium Analogue of an Alkyne, J. Am. Chem. Soc., 128, 1023–1031 (2006).

  299. 299.

    Z. Slanina, F. Uhlik, S. -L. Lee, and S. Nagase: Computational Modeling for the Clustering Degree in the Saturated Steam and the Water-Containing Complexes in the Atmosphere, J. Quant. Spect. Rad. Trans., 97, 415–423 (2006).

  300. 300.

    M. Yamada, T. Wakahara, Y. Lian, T. Tsuchiya, T. Akasaka, M. Waelchli, N. Mizorogi, S. Nagase, and K. M. Kadish: Analysis of Lanthanide-Induced NMR Chemical Shifts of the Ce@C82 Anion, J. Am. Chem. Soc., 128, 1400–1401 (2006).

  301. 301.

    M. Yamada, T. Wakahara, T. Nakahodo, T. Tsuchiya, Y. Maeda, T. Akasaka, K. Yoza, E. Horn, N. Mizorogi, and S. Nagase: Synthesis and Structural Characterization of Endohedral Pyrrolidinodimetallofullene: La2@C80(CH2)2NTrt, J. Am. Chem. Soc., 128, 1402–1403 (2006).

  302. 302.

    Z. Slanina, Z. Chen, P. v. R. Schleyer, F. Uhlik, X. Lu, and S. Nagase: La2@C72 and Sc2@C72: Computational Characterizations, J. Phys. Chem. A, 110, 2231–2234 (2006).

  303. 303.

    J. Kobayashi, K. Goto, T. Kawashima, M. W. Schmidt, and S. Nagase: Reactivity of 1-Hydro-5-Carbaphosphatrane Based on Tautomerization between Pentavalent Phosphorane and Trivalent Cyclic Phosphonite, Chem. Eur. J., 12, 3811–3820 (2006).

  304. 304.

    J. Lu, D. Wang, S. Nagase, M. Ni, X. Zhang, Y. Maeda, T. Wakahara, T. Nakahodo, T. Tsuchiya, T. Akasaka, Z. Gao, D. Yu, H. Ye, Y. Zhou, and W. N. Mei: Evolution of the Electronic Properties of Metallic Single-Walled Nanotubes with the Degree of CCl2 Covalent Functionalization, J. Phys. Chem. B, 110, 5655–5658 (2006).

  305. 305.

    Z. Slanina and S. Nagase: Stability Computations for Ba@C74 Isomers, Chem. Phys. Lett., 422, 133–136 (2006).

  306. 306.

    Z. Slanina, F. Uhlik, K. Ishimura, and S. Nagase: Computations of the Energetics of C60F36 Isomers, Fullerenes Nanotubes Carbon Nanostruct., 14, 57–65 (2006).

  307. 307.

    G. Frenking, A. Krapp, S. Nagase, N. Takagi, and A. Sekiguchi: Comment on “Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations”, Chem. Phys. Chem., 7, 799–800 (2006).

  308. 308.

    J. Lu, S. Nagase, X. Zhang, D. Wang, M. Ni, Y. Maeda, T. Wakahara, T. Nakahodo, T. Tsuchiya, T. Akasaka, Z. Gao, D. Yu, H. Ye, W. N. Mei, and Y. Zhou: Selective Interaction of Larger or Charge-Transfer Aromatic Molecules with Metallic Single-Wall Carbon Nanotubes: Critical Role of the Molecular Size and Orientation, J. Am. Chem. Soc., 128, 5114–5118 (2006).

  309. 309.

    Z. Slanina, S.-L. Lee, F. Uhlik, L. Adamowicz, and S. Nagase: Excited Electronic States and Relative Stabilities of C80 Isomers, Int. J. Quantum Chem., 106, 2222–2228 (2006).

  310. 310.

    Y. Matsunaga, Y. Maeda, T. Wakahara, T. Tsuchiya, M. O. Ishitsuka, T. Akasaka, N. Mizorogi, K. Kobayashi, S. Nagase, and K. M. Kadish: NMR Study of La@C82 (Ad) Anion, ITE Lett. Batt. New Tech. Med., 7, 43–49 (2006).

  311. 311.

    L. Feng, T. Tsuchiya, T. Wakahara, T. Nakahodo, Q. Piao, Y. Maeda, T. Akasaka, T. Kato, K. Yoza, E. Horn, N. Mizorogi, and S. Nagase: Synthesis and Characterization of a Bisadduct of La@C82, J. Am. Chem. Soc., 128, 5990–5991 (2006).

  312. 312.

    Y. Iiduka, T. Wakahara, K. Nakajima, T. Tsuchiya, T. Nakahodo, Y. Maeda, T. Akasaka, N. Mizorogi, and S. Nagase: 13C NMR Spectroscopic Study of Scandium Dimetallofullerene, Sc2@C84 vs. Sc2C2@C82, Chem. Commun., 2057–2059 (2006).

  313. 313.

    Z. Slanina, P. Pulay, and S. Nagase: H2, Ne, and N2 Energies of Encapsulation into C60 Evaluated with the MPWB1 K Functional, J. Chem. Theory Comput., 2, 782–785 (2006).

  314. 314.

    T. Tsuchiya, K. Sato, H. Kurihara, T. Wakahara, T. Nakahodo, Y. Maeda, T. Akasaka, K. Ohkubo, S. Fukuzumi, T. Kato, N. Mizorogi, K. Kobayashi, and S. Nagase: Host–Guest Complexation of Endohedral Metallofullerene with Azacrown Ether and Its Application, J. Am. Chem. Soc., 128, 6699–6703 (2006).

  315. 315.

    M. Saito, M. Shimosawa, M. Yoshioka, K. Ishimura, and S. Nagase: Synthesis of Stannaindenyl Anions and a Dianion, Organometallics, 25, 2967–2971 (2006).

  316. 316.

    L. Feng, T. Wakahara, T. Nakahodo, T. Tsuchiya, Q. Piao, Y. Maeda, Y. Lian, T. Akasaka, E. Horn, K. Yoza, T. Kato, N. Mizorogi, and S. Nagase: The Bingel Monoadducts of La@C82: Synthesis, Characterization, and Electrochemistry, Chem. Eur. J., 12, 5578–5586 (2006).

  317. 317.

    K. Iwanaga, J. Kobayashi, T. Kawashima, N. Takagi, and S. Nagase: Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand, Organometallics, 25, 3388–3393 (2006).

  318. 318.

    L. Lai, W. Song, J. Lu, Z. Gao, S. Nagase, M. Ni, W. N. Mei, J. Liu, D. Yu, and H. Ye: Structural and Electronic Properties of Fluorinated Boron Nitride Nanotubes, J. Phys. Chem. B, 110, 14092–14097 (2006).

  319. 319.

    T. Wakahara, Y. Iiduka, O. Ikenaga, T. Nakahodo, A. Sakuraba, T. Tsuchiya, Y. Maeda, M. Kako, T. Akasaka, K. Yoza, E. Horn, N. Mizorogi, and S. Nagase: Characterization of the Bis-Silylated Endofullerene Sc3N@C80, J. Am. Chem. Soc., 128, 9919–9925 (2006).

  320. 320.

    M. Saito, M. Shimosawa, M. Yoshioka, K. Ishimura, and S. Nagase: Synthesis and Characterization of Dimetallostannafluorenes, Chem. Lett., 940–941 (2006).

  321. 321.

    S.-i. Iwamatsu, C. M. Stanisky, R. J. Cross, M. Saunders, N. Mizorogi, S. Nagase, and S. Murata: Carbon Monoxide inside an Open-Cage Fullerene, Angew. Chem. Int. Ed., 45, 5337–5340 (2006).

  322. 322.

    T. Tsuchiya, H. Kurihara, K. Sato, T. Wakahara, T. Akasaka, T. Shimizu, N. Kamigata, N. Mizorogi, and S. Nagase: Supramolecular Complexes of La@C82 with Unsaturated Thiacrown Ethers, Chem. Commun., 3585–3587 (2006).

  323. 323.

    T. Adachi, S. Matsukawa, M. Nakamoto, K. Kajiyama, S. Kojima, Y. Yamamoto, K.-y. Akiba, S. Re, and S. Nagase: Experimental Determination of the nN → σ*P–O Interaction Energy of O-Equatorial C-Apical Phosphoranes Bearing a Primary Amino Group, Inorg. Chem., 45, 7269–7277 (2006).

  324. 324.

    Y. Maeda, Y. Sato, M. Kako, T. Wakahara, T. Akasaka, J. Lu, S. Nagase, Y. Kobori, T. Hasegawa, K. Motomiya, K. Tohji, A. Kasuya, D. Wang, D. Yu, Z. Gao, R. Han, and H. Ye: Preparation of Single-Walled Carbon Nanotubes—Organosilicon Hybrids and Their Enhanced Field Emission Properties, Chem. Mater., 18, 4205–4208 (2006).

  325. 325.

    Y. Maeda, M. Kanda, M. Hashimoto, T. Hasegawa, S. Kimura, Y. Lian, T. Wakahara, T. Akasaka, S. Kazaoui, N. Minami, T. Okazaki, Y. Hayamizu, K. Hata, J. Lu, and S. Nagase: Dispersion and Separation of Small-Diameter Single-Walled Carbon Nanotubes, J. Am. Chem. Soc., 128, 12239–12242 (2006).

  326. 326.

    T. Sasamori, E. Mieda, N. Nagahora, K. Sato, D. Shiomi, T. Takui, Y. Hosoi, Y. Furukawa, N. Takagi, S. Nagase, and N. Tokitoh: One-Electron Reduction of Kinetically Stabilized Dipnictenes: Synthesis of Dipnictene Anion Radicals, J. Am. Chem. Soc., 128, 12582–12588 (2006).

  327. 327.

    N. Mizorogi and S. Nagase: Do Eu@C82 and Gd@C82 have an Anomalous Endohedral Structure? Chem. Phys. Lett., 431, 110–112 (2006).

  328. 328.

    T. Wakahara, H. Nikawa, T. Kikuchi, T. Nakahodo, G. M. A. Rahman, T. Tsuchiya, Y. Maeda T. Akasaka, K. Yoza, E. Horn, K. Yamamoto, N. Mizorogi, Z. Slanina, and S. Nagase: La@C72 Having a Non-IPR Carbon Cage, J. Am. Chem. Soc., 128, 14228–14229 (2006).

  329. 329.

    T. Tsuchiya, K. Sato, H. Kurihara, T. Wakahara, Y. Maeda, T. Akasaka, K. Ohkubo, S. Fukuzumi, T. Kato, and S. Nagase: Spin-Site Exchange System Constructed from Endohedral Metallofullerenes and Organic Donors, J. Am. Chem. Soc., 128, 14418–14419 (2006).

  330. 330.

    T. Tsuchiya, T. Wakahara, Y. Lian, Y. Maeda, T. Akasaka, T. Kato, N. Mizorogi, and S. Nagase: Selective Extraction and Purification of Endohedral Metallofullerene from Carbon Soot, J. Phys. Chem. B, 110, 22517–22520 (2006).

  331. 331.

    Z. Slanina, F. Uhlik, and S. Nagase: Computed Structures of Two Known Yb@C74 Isomers, J. Phys. Chem. A, 110, 12860–12863 (2006).

  332. 332.

    Z. Slanina and S. Nagase: A Computational Characterization of N2@C60, Mol. Phys. 104, 3167–3171 (2006).

  333. 333.

    W. Song, J. Lu, Z. Gao, M. Ni, L. Guan, Z. Shi, Z. Gu, S. Nagase, D. Yu, H. Ye, and X. Zhang: Structural and Electronic Properties of One Dimensional KxC60 Crystal Encapsulated in Carbon Nanotube, Int. J. Mod. Phys. B, 21, 1705–1714 (2007).

  334. 334.

    Z. Slanina, S.-L. Lee, F. Uhlik, L. Adamowicz, and S. Nagase: Computing Relative Stabilities of Metallofullerenes by Gibbs Energy Treatments, Theor. Chem. Acc., 117, 315–322 (2007).

  335. 335.

    N. Takagi and S. Nagase: Effects of Bulky Substituent Groups on the Si–Si Triple Bonding in RSi≡SiR and the Short Ga–Ga Distance in Na2[RGaGaR]. A Theoretical Study, J. Organomet. Chem. (a special issue), 692, 217–224 (2007).

  336. 336.

    Y.-K. Choe, S. Nagase, and K. Nishimoto: Theoretical Study of the Electronic Spectra of Oxidized and Reduced States of Lumiflavin and Its Derivative, J. Comput. Chem., 28, 727–739 (2007).

  337. 337.

    N. Takagi and S. Nagase: Tin Analogues of Alkynes. Multiply Bonded Structures vs Singly Bonded Structures, Organometallics, 26, 469–471 (2007).

  338. 338.

    B. Wang, S. Nagase, J. Zhao, and G. Wang: Structural Growth Sequences and Electronic Properties of Zinc Oxide Clusters (ZnO)n (n = 2–18), J. Phys. Chem. C, 111, 4956–4963 (2007).

  339. 339.

    D. G. Fedorov, K. Ishimura, T. Ishida, K. Kitaura, P. Pulay, and S. Nagase: Accuracy of the Three-Body Fragment Molecular Orbital Method Applied to Møller-Plesset Perturbation Theory, J. Comput. Chem., 28, 1467–1484 (2007).

  340. 340.

    Z. Slanina, F. Uhlik, and S. Nagase: Computational Evaluation of the Relative Production Yields in the X@C74 Series (X = Ca, Sr, and Ba), Chem. Phys. Lett., 440, 259–262 (2007).

  341. 341.

    F. Uhlik, Z. Slanina, and S. Nagase: Mg@C74 Isomers: Calculated Relative Concentrations and Comparison with Ca@C74, Phys. Status Solidi A, 204, 1905–1910 (2007).

  342. 342.

    Z. Slanina, F. Uhlik, S. Lee, L. Adamowicz, and S. Nagase: Calculations on Endohedral C74 Complexes, J. Nanosci. Nanotech., 7, 1339–1345 (2007).

  343. 343.

    Z. Slanina, F. Uhlik, X. Zhao, L. Adamowicz, and S. Nagase: Relative Stabilities of C74 isomers, Fullerenes, Nanotubes, Carbon Nanostruct., 15, 195–205 (2007).

  344. 344.

    R. Kinjo, M. Ichinohe, A. Sekiguchi, N. Takagi, M. Sumimoto, and S. Nagase: Reactivity of a Disilyne RSi≡SiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene, J. Am. Chem. Soc., 129, 7766–7767 (2007).

  345. 345.

    K. Ishimura, P. Pulay, and S. Nagase: New Parallel Algorithm of MP2 Energy Gradient Calculations, J. Comput. Chem., 28, 2034–2042 (2007).

  346. 346.

    T. Wakahara, M. Yamada, S. Takahashi, T. Nakahodo, T. Tsuchiya, Y. Maeda, T. Akasaka, M. Kako, K. Yoza, E. Horn, N. Mizorogi, and S. Nagase: Two-Dimensional Hopping Motion of Encapsulated La Atoms in Silylated La2@C80, Chem. Commun., 2680–2682 (2007)

  347. 347.

    Y. Iiduka, T. Wakahara, K. Nakajima, T. Nakahodo, T. Tsuchiya, Y. Maeda, T. Akasaka, K. Yoza, M. T. H. Liu, N. Mizorogi, and S. Nagase: Experimental and Theoretical Studies of the Scandium Carbide Endohedral Metallofullerene Sc2C2@C82 and its Carbene Derivative, Angew. Chem. Int. Ed., 46, 5562–5564 (2007).

  348. 348.

    N. Takagi and S. Nagase: Do Lead Analogues of Alkynes Take a Multiply Bonded Structure? Organometallics, 26, 3627–3629 (2007).

  349. 349.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: Computed Structure and Relative Stabilities of Be@C74, Int. J. Quantum Chem., 107, 2494–2498 (2007).

  350. 350.

    D. Wang, J. Lu, L. Lai, M. Ni, W. N. Mei, G. Li, S. Nagase, Y. Maeda, T. Akasaka, Z. Gao, and Y. Zhou: Effects of Hole Doping on Selectivity of Naphthalene towards Single-Wall Carbon Nanotubes, Comput. Mater. Sci., 40, 354–358 (2007).

  351. 351.

    B. Wang, S. Nagase, J. Zhao, and G. Wang: The Stability and Electronic Structure of Single-Walled ZnO Nanotubes by Density Functional Theory, Nanotech., 18, 345706 (6 pages) (2007).

  352. 352.

    J. Lu, L. Lai, G. Luo, J. Zhou, R. Qin, D. Wang, L. Wang, W. N. Mei, G. Li, Z. Gao, S. Nagase, Y. Maeda, T. Akasaka, and D. Yu: Why Semiconducting Single-Wall Carbon Nanotubes are Separated from their Metallic Counterparts? Small, 3, 1566–1576 (2007).

  353. 353.

    M. Saito, S. Imaizumi, T. Tajima, K. Ishimura, and S. Nagase: Synthesis and Structure of Pentaorganostannate Having Five Carbon Substituents, J. Am. Chem. Soc., 129, 10974–10975 (2007).

  354. 354.

    Y. Maeda, M. Hashimoto, T. Hasegawa, M. Kanda, T. Tsuchiya, T. Wakahara, T. Akasaka, Y. Miyauchi, Y. Maruyama, J. Lu, and S. Nagase: Extraction of Metallic Nanotubes of Zeolite-Supported Single-Walled Carbon Nanotubes Synthesized from Alcohol, NANO, 2, 221–226 (2007).

  355. 355.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: Computations of Production Yields for Ba@C74 and Yb@C74, Mol. Sim., 33, 563–568 (2007).

  356. 356.

    Z. Zhou and S. Nagase: Coaxial Nanocables of AlN Nanowire Core and Carbon/BN Nanotube Shell, J. Phys. Chem. C, 111, 18533–18537 (2007).

  357. 357.

    E. Rivard, R. C. Fischer, R. Wolf, Y. Peng, W. A. Merrill, N. D. Schley, Z. Xhu, L. Pu, J. C. Fettinger, S. J. Teat, I. Nowik, R. H. Herber, N. Takagi, S. Nagase, and P. P. Power: Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System, J. Am. Chem. Soc., 129, 16197–16208 (2007).

  358. 358.

    T. Tsuchiya, R. Kumashiro, K. Tanigaki, Y. Matsunaga, M. O. Ishituka, T. Wakahara, Y. Maeda, Y. Takano, M. Aoyagi, T. Akasaka, M. T. H. Liu, T. Kato, K. Suenaga, J. S. Jeong, S. Iijima, F. Kimura, T. Kimura, and S. Nagase: Nanorods of Endohedral Metallofullerene Derivative, J. Am. Chem. Soc., 130, 450–451 (2008).

  359. 359.

    B. Gao, H. Nikawa, T. Nakahodo, T. Tsuchiya, Y. Maeda, T. Akasaka, H. Sawa, Z. Slanina, N. Mizorogi, and S. Nagase: Addition of Adamantylidene to La2@C78: Isolation and Single-Crystal X-ray Structural Determination of the Monoadducts, J. Am. Chem. Soc., 130, 983–989 (2008).

  360. 360.

    M. Yamada, C. Someya, T. Wakahara, T. Tsuchiya, Y. Maeda, T. Akasaka, K. Yoza, E. Horn, M. T. H. Liu, N. Mizorogi, and S. Nagase: Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80 (Ad) (M = La and Ce, Ad = Adamantylidene), J. Am. Chem. Soc., 130, 1171–1176 (2008).

  361. 361.

    M. Yamada, T. Wakahara, T. Tsuchiya, Y. Maeda, M. Kako, T. Akasaka, K. Yoza, E. Horn, N. Mizorogi, and S. Nagase: Location of the Metal Atoms in Ce2@C78 and Its Bis-silylated Derivative, Chem. Commun., 558–560 (2008).

  362. 362.

    T. Nakahodo, M. Okada, H. Morita, T. Yoshimura, M. O. Ishitsuka, T. Tsuchiya, Y. Maeda, H. Fujihara, T. Akasaka, X. Gao, and S. Nagase: [2 + 1] Cycloaddition of Nitrene onto C60 Revisited: Interconversion between an Aziridinofullerene and an Azafulleroid, Angew. Chem. Int. Ed., 47, 1298–1300 (2008).

  363. 363.

    T. Akasaka, T. Kono, Y. Matsunaga, T. Wakahara, T. Nakahodo, M. O. Ishitsuka, Y. Maeda, T. Tsuchiya, T. Kato, M. T. H. Liu, N. Mizorigi, Z. Slanina, and S. Nagase: Isolation and Characterization of Carbene Derivatives of La@C82 (Cs), J. Phys. Chem. A, 112, 1294–1297 (2008).

  364. 364.

    A. D. Kulkarni, S. R. Gadre, and S. Nagase: Quantum Chemical and Electrostatic Studies of Anionic Water Clusters, (H2O) −n , J. Mol. Struct. (Theochem), 851, 213–219 (2008).

  365. 365.

    T. Nakahodo, K. Takahashi, M. O. Ishitsuka, T. Tsuchiya, Y. Maeda, H. Fujihara, S. Nagase, and T. Akasaka: Synthesis of Selenyfullerene with Selenium-Containig Dibenzo[b,g]cyclooctane Moiety, Tetrahedoron Lett., 49, 2302–2305 (2008).

  366. 366.

    B. Wang, X. Wang, G. Chen, S. Nagase, and J. Zhao: Cage and Tube Structures of Medium-Sized Zinc Oxide Clusters (ZnO)n (n = 24, 28, 36, and 48), J. Chem. Phys., 128, 144710 (6 pages) (2008).

  367. 367.

    K. Ishimura and S. Nagase: A New Algorithm of Two-Electron Repulsion Integral Calculations: A Combination of Pople-Hehre and McMurchie-Davidson Methods, Theor. Chem. Acc., 120, 185–189 (2008).

  368. 368.

    T. Asada, S. Nagase, K. Nishimoto, and S. Koseki: Molecular Dynamics Simulation Study on Stabilities and Reactivities of NADH Cytochrome B5 Reductase, J. Phys. Chem. B, 112, 5718–5727 (2008).

  369. 369.

    Z. Slanina, F. Uhlik, S-. L. Lee, L. Adamowicz, and S. Nagase: Computational Screening of Metallofullerenes for Nanoscience: Sr@C74, Mol. Sim., 34, 17–21 (2008).

  370. 370.

    N. Tokitoh, K. Wakita, T. Matsumoto, T. Sasamori, R. Okazaki, N. Takagi, M. Kimura, and S. Nagase: The Chemistry of Stable Silabenzenes, J. Chin. Chem. Soc., 55, 487–507 (2008).

  371. 371.

    X. Lu, H. Nikawa, T. Nakahodo, T. Tsuchiya, M. O. Ishitsuka, Y. Maeda, T. Akasaka, M. Toki, H. Sawa, Z. Slanina, N. Mizorogi, and S. Nagase: Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72, J. Am. Chem. Soc., 130, 9129–9136 (2008).

  372. 372.

    X. Gao, Z. Zhou, Y. Zhao, S. Nagase, S. B. Zhang, and Z. Chen: Comparative Study of Carbon and BN Nanographenes: Ground Electronic States and Energy Gap Engineering, J. Phys. Chem. C, 112, 12677–12682 (2008).

  373. 373.

    M. Yamada, T. Wakahara, T. Tsuchiya, Y. Maeda, T. Akasaka, N. Mizorogi, and S. Nagase: Spectroscopic and Theoretical Study of Endohedral Metallofullerene having a Non-IPR Fullerene Cage: Ce2@C72, J. Phys. Chem. A, 112, 7627–7631 (2008).

  374. 374.

    Y. Maeda, Y. Takano, A. Sagara, M. Hashimoto, M. Kanda, S.-I. Kimura, Y. Lian, T. Nakahodo, T. Tsuchiya, T. Wakahara, T. Akasaka, T. Hasegawa, S. Kazaoui, N. Minami, J. Lu, and S. Nagase: Simple Purification and Selective Enrichment of Metallic SWCNTs Produced Using the Arc-Discharge Method, Carbon, 46, 1563–1569 (2008).

  375. 375.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: Computations on Three Isomers of La@C74, Int. J. Quant. Chem., 106, 2636–2640 (2008).

  376. 376.

    Y. Maeda, M. Hashimoto, S. Kaneko, M. Kanda, T. Hasegawa, T. Tsuchiya, T. Akasaka, Y. Naitoh, T. Shimizu, H. Tokumoto, J. Lu, and S. Nagase: Preparation of Transparent and Conductive Thin Films of Metallic Single-Walled Carbon Nanotubes, J. Mater. Chem., 18, 4189–4192 (2008).

  377. 377.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: MPWB1 K Calculations of Stepwise Encapsulations: LiXC60, Chem. Phys. Lett., 463, 121–123 (2008).

  378. 378.

    Y. Yamazaki, K. Nakajima, T. Wakahara, T. Tsuchiya, M. O. Ishitsuka, Y. Maeda, T. Akasaka, M. Waelchli, N. Mizorogi, and S. Nagase: Observation of 13C NMR Chemical Shifts of Metal Carbides Encapsulated in Fullerenes: Sc2C2@C82, Sc2C2@C84 and Sc3C2@C80, Angew. Chem. Int. Ed., 47, 7905–7908 (2008).

  379. 379.

    Y. Ohtsuka and S. Nagase: Projector Monte Carlo Method Based on Configuration State Functions. Test Applications to the H4 System and Dissociation of LiH, Chem. Phys. Lett., 463, 431–434 (2008).

  380. 380.

    T. Akasaka, T. Kono, Y. Takematsu, H. Nikawa, T. Nakahodo, T. Wakahara, M. O. Ishitsuka, T. Tsuchiya, Y. Maeda, M. T. H. Liu, K. Yoza, T. Kato, K. Yamamoto, N. Mizorogi, Z. Slanina, and S. Nagase: Does Gd@C82 have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-Ray Structure of the Carbene Adduct, J. Am. Chem. Soc., 130, 12840–12841 (2008).

  381. 381.

    D. Wang, J. Lu, J. Zhou, L. Lai, L. Wang, G. Luo, Z. Gao, G. Li, W. N. Mei, S. Nagase, Y. Maeda, T. Akasaka, and Y. Zhou: Selective Adsorption of Cations on Single-Walled Carbon Nanotubes: A Density Functional Theory Study, Comput. Mater. Sci., 43, 886–891 (2008).

  382. 382.

    T. Sasamori, K. Hironaka, Y. Sugiyama, N. Takagi, S. Nagase, Y. Hosoi, Y. Furukawa, and N. Tokitoh: Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-Dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne, J. Am. Chem. Soc., 130, 13856–13857 (2008).

  383. 383.

    F. Uhlik, Z. Slanina, and S. Nagase: Computational Treatment of Alkaline Earth Encapsulations in C74: Relative Thermodynamic Production Abundances, Fullerenes, Nanotubes, Carbon Nanostruct., 16, 507–516 (2008).

  384. 384.

    X. Lu, H. Nikawa, T. Tsuchiya, Y. Maeda, M. O. Ishitsuka, T. Akasaka, M. Toki, H. Sawa, Z. Slanina, N. Mizorogi, and S. Nagase: Bis-Carbene Adducts of Non-IPR La2@C72: Localization of High Reactivity around Fused Pentagons and Electrochemical Properties, Angew. Chem. Int. Ed., 47, 8642–8645 (2008).

  385. 385.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, and S. Nagase: LixC60: Calculations of the Encapsulation Energetics and Thermodynamics, Int. J. Mol. Sci., 9, 1841–1850 (2008).

  386. 386.

    Y. Takano, A. Yomogida, H. Nikawa, M. Yamada, T. Wakahara, T. Tsuchiya, M. O. Ishitsuka, Y. Maeda, T. Akasaka, T. Kato, Z. Slanina, N. Mizorogi, and S. Nagase: Radical Coupling Reaction of Paramagnetic Endohedral Metallofullerene La@C82, J. Am. Chem. Soc., 130, 16224–16230 (2008).

  387. 387.

    N. Tajima, M. Ikeda, M. Saito, K. Ishimura, and S. Nagase: Synthesis, Structure and Reactions of a Trianion Equivalent, Trilithiostannane, Chem. Commun., 6495–6497 (2008).

  388. 388.

    Y. Maeda, T. Kato, J. Higo, T. Hasegawa, T. Kitano, T. Tsuchiya, T. Akasaka, T. Okazaki, J. Lu, and S. Nagase: C60(OH)n-Assisted Dispersion of Single-Walled Carbon Nanotubes, NANO, 3, 455–459 (2008).

  389. 389.

    J. Zhou, Y. Maeda, J. Lu, A. Tashiro, T. Hasegawa, G. Luo, L. Wang, L. Lai, T. Akasaka, S. Nagase, Z. Gao, R. Qin, W. N. Mei, G. Li, and D. Yu: Electronic-Type- and Diameter-Dependent Reduction of Single-Walled Carbon Nanotubes Induced by Adsorption of Electron-Donor Molecules, Small, 5, 244–255 (2009).

  390. 390.

    T. Tsuchiya, T. Akasaka, and S. Nagase: Construction of Supramolecular Systems Based on Endohedral Metallofullerenes, Bull. Chem. Soc. Jpn. (Accounts), 82, 171–181 (2009).

  391. 391.

    A. H. Han, T. Wakahara, Y. Maeda, T. Akasaka, M. Fujitsuka, O. Ito, K. Yamamoto, M. Kako, K. Kobayashi, and S. Nagase: A New Method for Separating the D3 and C2v Isomers of C78, New J. Chem., 33, 497–500 (2009).

  392. 392.

    Y. Maeda, A. Sagara, M. Hashimoto, Y. Hirashima, K. Sode, T. Hasegawa, M. Kanda, M. O. Ishitsuka, T. Tsuchiya, T. Akasaka, T. Okazaki, H. Kataura, J. Lu, S. Nagase, and S. Takeuchi: Tuning of Electronic Properties of Single-Walled Carbon Nanotubes under Homogenous Conditions, ChemPhysChem, 10, 926–930 (2009).

  393. 393.

    X. Gao, K. Ishimura, S. Nagase, and Z. Chen: Dichlorocarbene Addition onto C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel Mechanism? J. Phys. Chem. A, 113, 3673–3676 (2009).

  394. 394.

    M. Katouda and S. Nagase: Efficient Parallel Algorithm of Second-Order Møller Plesset Perturbation Theory with Resolution-of-Identity Approximation (RI-MP2), Int. J. Quant. Chem., 109, 2121–2130 (2009).

  395. 395.

    K. Takeuchi, M. Ichinohe, A. Sekiguchi, J.-D. Guo, and S. Nagase: Reactivity of the Disilyne RSi≡SiR (R = SiiPr[CH(SiMe3)2]2) toward Nitriles: Unexpected Formation of Triazo-1,4-disilabicyclo[2.2.2]octa-2,5,7-triene Derivatives, Organometallics, 28, 2658–2660 (2009).

  396. 396.

    T. Asada, S. Nagase, K. Nishimoto, and S. Koseki: Simulation Study of Interactions and Reactivities between NADH Cytochrome b5 Reductase and Cytochrome b5, J. Mol. Liq., 147,139–144 (2009).

  397. 397.

    K. E. Whitener, R. J. Cross, M. Saunders, S.-I. Iwamatsu, S. Murata, N. Mizorogi, and S. Nagase: Methane in an Open-Cage [60]Fullerene, J. Am. Chem. Soc., 131, 6338–6339 (2009).

  398. 398.

    Z. Zhu, R. C. Fischer, B. D. Ellis, E. Rivard, W. A. Merrill, M. M. Olmstead, P. P. Power, J. D. Guo, S. Nagase, and L. Pu: Synthesis, Characterization and Real Molecule DFT Calculations for Neutral Organogallium (I) Aryl Dimers and Monomers: Weakness of Gallium-Gallium Bonds in Digallenes and Digallynes, Chem. Eur. J., 15, 5263–5272 (2009).

  399. 399.

    L. Chen, L. Wang, X. Gao, S. Nagase, Y. Honsho, A. Saeki, S. Seki, and D. Jiang: The Non-Covalent Assembly of Benzene-Bridged Metallosalphen Dimers: Photoconductive Tapes with Large Carrier Mobility and Spatially Distinctive Conduction Anisotropy, Chem. Commun., 3119–3121 (2009).

  400. 400.

    T. Nakahodo, K. Takahashi, M. O. Ishitsuka, T. Tsuchiya, Y. Maeda, H. Fujihara, and S. Nagase, and T. Akasaka: Preparation, Characterization, and Electrochemical Properties of Selenylfullerenes, Phosphorus, Sulfur Silicon Relat. Elem., 184, 1523–1540 (2009).

  401. 401.

    Y. Takano, M. Aoyagi, M. Yamada, H. Nikawa, Z. Slanina, N. Mizorogi, M. O. Ishitsuka, T. Tsuchiya, Y. Maeda, T. Akasaka, T. Kato, and S. Nagase: Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Derivatives, J. Am. Chem. Soc., 131, 9340–9346 (2009).

  402. 402.

    X. Gao, L. Wang, Y. Ohtsuka, D.-E. Jiang, Y. Zhao, S. Nagase, and Z. Chen: Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments, J. Am. Chem. Soc., 131, 9663–9669 (2009).

  403. 403.

    H. Nikawa, T. Yamada, B. Gao, N. Mizorogi, Z. Slanina, T. Tsuchiya, T. Akasaka, K. Yoza, and S. Nagase: Missing Metallofullerene with C80 cage, J. Am. Chem. Soc., 131, 10950–10954 (2009).

  404. 404.

    X. Lu, H. Nikawa, L. Feng, T. Tsuchiya, Y. Maeda, T. Akasaka, N. Mizorogi, Z. Slanina, and S. Nagase: Location of the Y atoms in Y@C82 and Its Influence on the Reactivity of Cage Carbons, J. Am. Chem. Soc., 131, 12066–12607 (2009).

  405. 405.

    X. Gao, Y. Ohtsuka, K. Ishimura, and S. Nagase: Mechanism and Dynamic Correlation Effects in Cycloaddition Reactions of Singlet Difluorocarbene to Alkenes and Disilene, J. Phys. Chem. A, 113, 9582–9860 (2009).

  406. 406.

    M. Yamada, N. Mizorogi, T. Tsuchiya, T. Akasaka, and S. Nagase: Synthesis and Characterization of the D 5h Isomer of the Endohedral Dimetallofullerene Ce2@C80: Two-Dimensional Circulation of Encapsulated Metal Atoms inside a Fullerene Cage, Chem. Eur. J., 15, 9486–9493 (2009).

  407. 407.

    M. Yamada, M. Okamura, S. Sato, C. I. Someya, N. Mizorogi, T. Tsuchiya, T. Akasaka, T. Kato, and S. Nagase: Two Regioisomers of Endohedral Pyrrolidinodimetallofullerene M2@I h -C80(CH2)2NTrt (M = La, Ce; Trt = trityl): Control of Metal Atom Positions by Addition Positions, Chem. Eur. J., 15, 10533–10542 (2009).

  408. 408.

    M. Saito, M. Shiratake, T. Tajima, J.-D. Guo, and S. Nagase: Synthesis and Structure of the Dithienostannole Anion, J. Organomet. Chem., 694, 4056–4061 (2009).

  409. 409.

    Y. Peng, J.-D. Guo, B. D. Ellis, Z. Zhu, J. C. Fettinger, S. Nagase, and P. P. Power: Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination, J. Am. Chem. Soc., 131, 16272–16282 (2009).

  410. 410.

    X. Lu, H. Nikawa, T. Tsuchiya, T. Akasaka, M. Toki, H. Sawa, N. Mizorogi, and S. Nagase: Nitrated Benzyne Derivatives of La@C82: Addition of NO2 and Its Positional Directing Effect on the Subsequent Addition of Benzynes, Angew. Chem. Int. Ed., 49, 594–597 (2010).

  411. 411.

    H. Nikawa, Y. Araki, Z. Slanina, T. Tsuchiya, T. Akasaka, T. Wada, O. Ito, K.-P. Dinse, M. Ata, T. Kato, and S. Nagase: The Effect of Atomic Nitrogen on the C60 Cage, Chem. Commun., 46, 631–633 (2010).

  412. 412.

    M. Saito, T. Tanikawa, T. Tajima, J. D. Guo, and S. Nagase: Synthesis and Structures of Heterasumanenes Having Different Heteroatom Functionalities, Tetrahedron Lett., 51, 672–675 (2010).

  413. 413.

    X. Gao, J. Jang, and S. Nagase: Hydrazine and Thermal Reduction of Graphene Oxide: Reaction Mechanisms, Product Structures, and Reaction Design, J. Phys. Chem. C, 114, 832–842 (2010).

  414. 414.

    M. Yamada, T. Akasaka, and S. Nagase: Endohedral Metal Atoms in Pristine and Functionalized Fullerene Cages, Acc. Chem. Res., 43, 92–102 (2010).

  415. 415.

    Y. Ohtsuka and S. Nagase: Projector Monte Carlo Method Based on Slater Determinants. Test Application to Singlet Excited States of H2O and LiF, Chem. Phys. Lett., 485, 367–370 (2010).

  416. 416.

    N. Kano, H. Miyake, K. Sasaki, T. Kawashima, N. Mizorogi, and S. Nagase: Dianionic Species with a Bond Consisting of Two Pentacoordinated Silicon Atoms, Nature Chem., 2, 112–116 (2010).

  417. 417.

    Y. Maeda, S. Sato, K. Inada, H. Nikawa, M. Yamada, N. Mizorogi, T. Hasegawa, T. Tsuchiya, T. Akasaka, T. Kato, Z. Slanina, and S. Nagase: Regioselective Exohedral Functionalization of La@C82 and its 1,2,3,4,5-Pentamethylcyclopentadiene and Adamantylidene Adducts, Chem. Eur. J., 16, 2193–2197 (2010).

  418. 418.

    Y. Maeda, T. Kato, T. Hasegawa, M. Kako, T. Akasaka, J. Lu, and S. Nagase: Two-Step Alkylation of Single-Walled Carbon Nanotubes: Substituent Effect on Sidewall Functionalization, Org. Lett., 12, 996–999 (2010).

  419. 419.

    T. Tsuchiya, T. Akasaka, and S. Nagase: New Vistas in Fullerene Endohedrals: Functionalization with Compounds from Main Group Elements, Pure Appl. Chem., 82, 505–521 (2010).

  420. 420.

    T. Sasamori, J. S. Han, K. Hironaka, N. Takagi, S. Nagase, and N. Tokitoh: Synthesis and Structure of Stable 1,2-Diaryldisilyne, Pure Appl. Chem., 82, 603–612 (2010).

  421. 421.

    M. Saito, T. Tanikawa, T. Tajima, J. D. Guo, and S. Nagase: Arching a Bay Area of Triphenyleno[1,12-bcd]thiophene with Group 14 Functionalities: Synthesis of the First Triphenylene Derivatives Having Thiophene and Metallafluorenen Moieties, J. Organomet. Chem., 695, 1035–1041 (2010).

  422. 422.

    K. Takeuchi, M. Ichinohe, A. Sekiguchi, J.-D. Guo, and S. Nagase: Reactivity of the Disilyne RSi≡SiR (R = SiiPr[CH(SiMe3)2]2) toward Bis(silylcyanide) Forming a 1,4-diaza-2,3-disilabenzene Analog, J. Phys. Org. Chem., 23, 390–394 (2010).

  423. 423.

    X. Gao, L. Liu, S. Irle and S. Nagase: Carbon Spiral Helix: A Nanoarchitecture Derived from Monovalency Defects in Graphene, Angew. Chem. Int. Ed., 49, 3200–3202 (2010).

  424. 424.

    M. Yamada, T. Tsuchiya, T. Akasaka, and S. Nagase: In-Depth Understanding of π-Electron Systems: New Vistas in Fullerene Endohedrals, Pure Appl. Chem., 82, 757–767 (2010).

  425. 425.

    M. Saito, M. Sakaguchi, T. Tajima, K. Ishimura, S. Nagase, and M. Hada: Dilithioplumbole: A Lead-Bearing Aromatic Cyclopentadinyl Analog, Science, 328, 339–342 (2010).

  426. 426.

    J. Zhou, H. Li, J. Lu, G. Luo, L. Lai, R. Qin, L. Wang, S. Nagase, Z. Gao, W. Mei, G. Li, D. Yu, and S. Sanvito: Selection of Single-Walled Carbon Nanotubes According to Both Their Diameter and Chirality via Nanotweezers, Nano Res., 3, 296–306 (2010).

  427. 427.

    X. Lu, Z. Slanina, T. Akasaka, T. Tsuchiya, N. Mizorogi, and S. Nagase: Yb@C2n (n = 40, 41, 42): New Fullerene Allotropes with Unexpected Electrochemical Properties, J. Am. Chem. Soc., 132, 5896–5905 (2010).

  428. 428.

    Y. Takano, M. A. Herrranz, N. Martin, S. G. Radhakrishnan, D. M. Guldi, T. Tsuchiya, S. Nagase, and T. Akasaka: Donor–Acceptor Conjugates of Lanthanum Endohedral Metallofullerene and π-Extended Tetrathiafulvalene, J. Am. Chem. Soc., 132, 8048–8055 (2010).

  429. 429.

    M. Saito, M. Sakaguchi, T. Tajima, K. Ishimura, and S. Nagase: Synthesis, Structures, and Properties of Plumboles, Phosphorus, Sulfur Silicon Relat. Elem., 185, 1068–1076 (2010).

  430. 430.

    M. O. Ishitsuka, H. Enoki, T. Tsuchiya, Z. Slanina, N. Mizorogi, S. Nagase, M. T. H. Liu, and T. Akasaka: Chemical Modification of Endohedtral Metallofullertene La@C82 with 3-chloro-3-phenyldiazirine, Phosphorus, Sulfur Silicon Relat. Elem., 185, 1124–1130 (2010).

  431. 431.

    X. Wang, Y. Peng, Z. Xhu, J. C. Fettinger, P. P. Power, J. Guo, and S. Nagase: Synthesis and Characterization of Two of the Three Isomers of a Germanium-Substituted Bicyclo[2.2.0]hexane Diradicaloid: Stretching the Ge–Ge Bond, Angew. Chem. Int. Ed., 49, 4593–4597 (2010).

  432. 432.

    D. M. Guldi, L. Feng, S. G. Radhakrishnan, H. Nikawa, M. Yamada, N. Mizorogi, T. Tsuchiya, T. Akasaka, S. Nagase, M. A. Herranz, and N. Martin: A Molecular Ce2@I h -C80 Switch—Unprecedented Oxidative Pathway in Photoinduced Charge Transfer Reactivity, J. Am. Chem. Soc., 132, 9078–9086 (2010).

  433. 433.

    M. Saito, T. Kuwabara, C. Kambayashi, M. Yoshioka, K. Ishimura, and S. Nagase: Synthesis, Structure, and Reaction of Tetraethyldilithiostannole, Chem. Lett., 39, 700–701 (2010). (selected as Editor’s Choice).

  434. 434.

    A. P. Rahalkar, M. Katouda, S. R. Gadre, and S. Nagase: Molecular Tailoring Approach in Conjugation with MP2 and RI-MP2 Codes: A Comparison with Fragment Molecular Orbital Method, J. Comput. Chem., 31, 2405–2418 (2010).

  435. 435.

    M. Saito, T. Kuwabara, K. Ishimura, and S. Nagase: Synthesis and Structures of Lithium Salts of Stannole Anions, Bull. Chem. Soc. Jpn., 83, 825–827 (2010).

  436. 436.

    J. Nagatsuka, S. Sugitani, M. Kako, T. Nakahodo, N. Mizorogi, M. O. Ishitsuka, Y. Maeda, T. Tsuchiya, T. Akasaka, X. Gao, and S. Nagase: Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydosilylated C60 Derivatives, J. Am. Chem. Soc., 132, 12106–12120 (2010).

  437. 437.

    S. Yoo, J. Won, S. W. Kang, Y. S. Kang, and S. Nagase: CO2 Separation Membranes Using Ionic Liquids in a Nafion Matrix, J. Membr. Sci., 363, 72–79 (2010).

  438. 438.

    X. Gao, S. B. Zhang, Y. Zhao, and S. Nagase: A Nanoscale Jigsaw-Puzzle Approach to Large π-Conjugated Systems, Angew. Chem. Int. Ed., 49, 6764–6767 (2010) (selected as a hot paper).

  439. 439.

    H. Li, X. Yan, G. Luo, R. Qin, Q. Liu, L. Yu, C. Xu, J. Zheng, J. Zhou, J. Lu, Z. Gao, S. Nagase, and W. N. Mei: Functionalized Metallic Single-Walled Carbon Natotubes as a High Performance Single-Molecule Organic Field Effect Transistor: An Ab Initio Study, J. Phys. Chem. C, 114, 15816–15822 (2010).

  440. 440.

    Y. Takano, M. O. Ishitsuka, T. Tsuchiya, T. Akasaka, T. Kato, and S. Nagase: Retro-Reaction of Singly Bonded La@C82 Derivatives, Chem. Commun., 46, 8035–8036 (2010).

  441. 441.

    M. Katouda and S. Nagase: Application of Second-Order Møller–Plesset Perturbation Theory with Resolution-of-Identity Approximation to Periodic Systems, J. Chem. Phys., 133, 184103 (9 pages) (2010). (selected as editors’ choice for 2010).

  442. 442.

    Y. Maeda, K. Komoriya, K. Sode, M. Kanda, M. Yamada, T. Hasegawa, T. Akasaka, J. Lu, and S. Nagase: Separation of Metallic Single-Walled Carbon Nanotubes Using Various Amines, Phys. Status Solidi B., 247, 2641–2644 (2010).

  443. 443.

    S. A. Mian, L. C. Saha, J. Jang, L. Wang, X. Gao, and S. Nagase: Density Functional Theory Study of Catechol Adhesion on Silica Surfaces, J. Phys. Chem. C, 114, 20793–20800 (2010).

  444. 444.

    T. Akasaka, X. Lu, H. Kuga, H. Nikawa, N. Mizorogi, Z. Slanina, T. Tsuchiya, K. Yoza, and S. Nagase: Dichlorophenyl Derivatives of La@C 3v (7)-C82: Endohedral Metal Induced Localization of Pyramidalization and Spin on a Triple-Hexagon Junction, Angew. Chem. Int. Ed., 49, 9715–9719 (2010).

  445. 445.

    H. Lei, J.-D. Guo, J. C. Fettinger, S. Nagase, and P. P. Power: Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal–Metal Bonds, J. Am. Chem. Soc., 132, 17399–17401 (2010).

  446. 446.

    M. Yamada, M. Minowa, S. Sato, M. Kako, Z. Slanina, N. Mizorogi, T. Tsuchiya, Y. Maeda, S. Nagase, and T. Akasaka: Thermal Carbosilylation of Endohedral Dimetallofullerene La2@I h -C80 with Silirane, J. Am. Chem. Soc., 132, 17953–17960 (2010).

  447. 447.

    L. Wang, X. Gao, X. Yan, J. Zhou, Z. Gao, S. Nagase, S. Sanvito, Y. Maeda, T. Akasaka, W. N. Mei, and J. Lu: Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-Filter Efficiency, J. Phys. Chem. C, 114, 21893–21899 (2010).

  448. 448.

    M. Okada, T. Nakahodo, M. O. Ishitsuka, H. Nikawa, T. Tsuchiya, T. Akasaka, T. Fujie, T. Yoshimura, Z. Slanina, and S. Nagase: Highly Regioselective Synthesis of Bis-Aziridino[60]fullerene with Sulfilimine, Chem. Asian J., 6, 416–423 (2011).

  449. 449.

    X. Ding, J. Guo, X. Feng, Y. Honsho, J.-D. Guo, S. Seki, P. Maitarad, A. Saeki, S. Nagase, and D. Jiang: Synthesis of Metallophthalocyanine Covalent Organic Frameworks That Exhibit High Carrier Mobility and Photoconductivity, Angew. Chem. Int. Ed., 50, 1289–1293 (2011).

  450. 450.

    H. Kurihara, X. Lu, Y. Iiduka, N. Mizorogi, Z. Slanina, T. Tsuchiya, T. Akasaka, and S. Nagase: Sc2C2@C80 Rather Than Sc2@C82: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster, J. Am. Chem. Soc., 133, 2382–2385 (2011).

  451. 451.

    S. Sato, S. Seki, Y. Honsho, L. Wang, H. Nikawa, G. Luo, J. Lu, M. Haranaka, T. Tsuchiya, S. Nagase, and T. Akasaka: Semi-Metallic Single-Component Crystal of Soluble La@C82 Derivative with High Electron Mobility, J. Am. Chem. Soc., 133, 2766–2771 (2011).

  452. 452.

    T. Yang, X. Zhao, and S. Nagase: Di-Lanthanide Encapsulated into Large Fullerene C100: A DFT Survey, Phys. Chem. Chem. Phys., 13, 5034–5037 (2011).

  453. 453.

    T. Tanikawa, M. Saito, J.-D. Guo, and S. Nagase: Synthesis, Structures and Optical Properties of Trisilasumanenes and Its Related Compounds, Org. Biomol. Chem., 9, 1731–1735 (2011).

  454. 454.

    M. Yamada, M. Minowa, S. Sato, Z. Slanina, T. Tsuchiya, Y. Maeda, S. Nagase, and T. Akasaka: Regioselective Cycloaddition of La2@I h -C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character, J. Am. Chem. Soc., 133, 3796–3799 (2011).

  455. 455.

    J. Min, J. Won, Y. S. Kang, and S. Nagase: Benzimidazole Derivatives in the Electrolyte of New-Generation Organic Dye-Sensitized Solar Cells with an Iodine-Free Redox Mediator, J. Photochem. Photobiol. A: Chem., 219, 148–153 (2011).

  456. 456.

    Y. Maeda, K. Komoriya, K. Soda, J. Higa, T. Nakamura, M. Yamada, T. Hasegawa, T. Akasaka, T. Saito, J. Lu, and S. Nagase: Preparation and Characterization of Transparent and Conductive Thin Films of Single-Walled Carbon Nanotubes, Nanoscale, 3, 1904–1909 (2011).

  457. 457.

    M. Maruyama, J.-D. Guo, S. Nagase, E. Nakamura, and Y. Matsuo: Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaary[60]fullerene Complexes, J. Am. Chem. Soc., 133, 6890–6893 (2011).

  458. 458.

    M. O. Ishitsuka, S. Sano, H. Enoki, S. Sato, H. Nikawa, T. Tsuchiya, Z. Slanina, N. Mizorogi, M. T. H. Liu, T. Akasaka, and S. Nagase: Regioselective Bis-Functionalization of Endohedral Dimetallofullerene, La2C80: Extremal La-La Distance, J. Am. Chem. Soc., 133, 7128–7134 (2011).

  459. 459.

    Z. Slanina, F. Uhlik, S.-L. Lee, L. Adamowicz, T. Akasaka, and. S. Nagase: Computed Stabilities in Metallofullerene Series: Al@C82, Sc@C82, Y@C82, and La@C82, Int. J. Quant. Chem., 111, 2712–2718 (2011).

  460. 460.

    L. Feng, S. G. Radhakrishnan, N. Mizorogi, Z. Slanina, H. Nikawa, T. Tsuchiya, T. Akasaka, S. Nagase, N. Martin, and D. M. Guldi: Synthesis and Charge-Transfer Chemistry of La2@I h -C80/Sc3N@I h -C80—Zinc Porphyrin Conjugates: Impact of Endohedral Cluster, J. Am. Chem. Soc., 133, 7608–7618 (2011).

  461. 461.

    X. Lu, T. Akasaka, and S. Nagase: Chemistry of Endohedral Metallofullerenes: The Role of Metals, Chem. Commun. (Feature Article), 47, 5942–5957 (2011).

  462. 462.

    L. Feng, Z. Slanina, S. Sato, K. Yoza, T. Tsuchiya, N. Mizorogi, T. Akasaka, S. Nagase, N. Martin, and D. M. Guldi: Covalently Linked Porphyrin-La@C82 Hybrids: Structural Elucidation and Investigation of Intramolecular Interactions, Angew. Chem. Int. Ed., 50, 5909–5912 (2011).

  463. 463.

    Y. Maeda, T. Tsuchiya, X. Lu, Y. Takano, T. Akasaka, and S. Nagase: Current Progress on the Chemical Functionalization and Supramolecular Chemistry of M@C82, Nanoscale (Minireview), 3, 2421–2429 (2011).

  464. 464.

    F. Hajjaj, K. Tashiro, H. Nikawa, N. Mizorogi, T. Akasaka, S. Nagase, K. Furukawa, T. Kato, and T. Aida: Ferromagnetic Spin Coupling between Endohedral Metallofullerene La@C82 and a Cyclodimeric Copper Porphyrin upon Inclusion, J. Am. Chem. Soc., 133, 9290–9292 (2011).

  465. 465.

    X. Gao, J. L. Hodgson, D. E. Jiang, S. B. Zhang, S. Nagase, G. P. Miller, and Z. Chen: Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene, Org. Lett., 13, 3316–3319 (2011).

  466. 466.

    X. Lu, H. Nikawa, T. Kikuchi, N. Mizorogi, Z. Slanina, T. Tsuchiya, S. Nagase, and T. Akasaka: Radical Derivatives of Insoluble La@C74: X-Ray Structures, Metal Positions, and Isomerization, Angew. Chem. Int. Ed., 50, 5909–5912 (2011).

  467. 467.

    M. Katouda, M. Kobayashi, H. Nakai, and S. Nagase: Two-Level Hierarchical Parallelization of Second-Order Møller–Plesset Perturbation Calculations in Divide-and-Conquer Method, J. Comput. Chem., 32, 2756–2764 (2011).

  468. 468.

    X. Lu, Y. Lian, C. M. Beavers, N. Mizorogi, Z. Slanina, S. Nagase, and T. Akasaka: Crystallographic X-Ray Analyses of Yb@C 2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Metal inside a Medium-Sized Fullerene, J. Am. Chem. Soc., 133, 10772–10775 (2011).

  469. 469.

    G. Luo, X. Qian, H. Liu, R. Qin, J. Zhou, L. Li, Z. Gao, E. Wang, W.-N. Mei, J. Lu, Y. Li, and S. Nagase: Quasiparticle Energies and Excitonic Effects of the Two-Dimensional Carbon Allotrope Graphdiyne: Theory and Experiment, Phys. Rev. B, 84, 075439 (5 pages) (2011).

  470. 470.

    T. Nakahodo, M. O. Ishituka, Y. Takano, T. Tsuchiya, T. Akasaka, M. A. Herranz, N. Martin, D. M. Guldi, and S, Nagase: Organosulfur-Based Fullerene Materials, Phosphorus, Sulfur Silicon Relat. Elem., 186, 1308–1311 (2011).

  471. 471.

    T. Yang, X. Zhao, Q. Xu, C. Zhou, L. He, and S. Nagase: Non-IPR Endohedral Fullerene Yb@C76: Density Functional Theory Characterization, J. Mater. Chem., 21, 12206–12209 (2011).

  472. 472.

    T. Tsuchiya, M. Wielopolski, N. Sakuma, N. Mizorogi, T. Akasaka, T. Kato, D. M. Guldi, and S. Nagase: Stable Radical Anions inside Fullerene Cages: Formation of Reversible Electron Transfer Systems, J. Am. Chem. Soc., 133, 13280–13283 (2011).

  473. 473.

    X. Ding, L. Chen, Y. Honsho, X. Feng, O. Saengsawang, J.-D. Guo, A. Saeki, S. Seki, S. Irle, S. Nagase, V. Parasuk, and D. Jiang: An n-Channel Two-Dimensional Covalent Organic Framework, J. Am. Chem. Soc., 133, 14510–14513 (2011).

  474. 474.

    S. A. Mian, X. Gao, S. Nagase, and J. Jang: Adsorption of Catechol on a Wet Silica Surface: Density Functional Theory Study, Theor. Chem. Acc., in press.

  475. 475.

    L. Wang, J. Zheng, J. Zhou, R. Qin, H. Li, W.-N. Mei, S. Nagase, and J. Lu: Tuning Graphene Nanoribbon Field Effect Transistors via Controlloing Doping Level, Theor. Chem. Acc., in press.

  476. 476.

    M. Saito, T. Kuwabara, K. Ishimura, and S. Nagase: Synthesis of a Novel Lithocene That Has Aromatic-Like Nature without Non-Aromatic Rings, Chem. Asian J., in press.

  477. 477.

    X. Gao, D. Jiang, Y. Zhap, S. Nagase, S. B. Zhang, and Z. Chen: Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversion between Graphene, J. Comput. Theor. Nanosci. (a review article), in press.

  478. 478.

    Y. Ohtsuka and S. Nagase: Projector Monte Carlo Method Based on Slater Determinants: A New Sampling Method for Singlet State Calculations, Theor. Chem. Acc., in press.

  479. 479.

    H.-X. Yeong, S. -H. Zhang, H. -W. Xi, J. -D. Guo, K. H. Lim, S. Nagase, and C. -W. So: An Amidinate-Stabilized Germatrisilacyclobutadiene Ylide, Chem. Eur. J., in press.

  480. 480.

    K. Sawai, Y. Takano, M. Izquierdo, S. Filippone, N. Martin, Z. Slanina, N. Mizorogi, M. Waelchli, T. Tsuchiya, T. Akasaka, and S. Nagase: Enantioselective Synthesis of Endohedral Metallofullerenes, J. Am. Chem. Soc., in press.