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Akira Imamura: a scientific memoir (1950–2011)

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References

  1. Fukui K, Imamura A, Yonezawa T, Nagata C (1960) Bull Chem Soc Jpn 33:1591–1599

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  2. Mulliken RS (1952) J Amer Chem Soc 74:811–824

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  3. Fukui K, Imamura A, Yonezawa T, Nagata C (1961) Bull Chem Soc Jpn 34:1076–1080

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  4. Fukui K (1964) In: Löwdin PO, Pullman B (ed) Molecular orbitals in chemistry, physics, and biology, Academic Press, New York, pp 513–537

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  11. Imamura A, Hoffmann R (1968) J Amer Chem Soc 90:5379–5385

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  12. Imamura A (1968) Mol Phys 15:225–238

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  13. Hoffmann R, Imamura A (1969) Biopolymers 7:207–213

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  14. Imamura A (1970) J Chem Phys 52:3168–3175

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  15. Fujita H, Imamura A (1970) J Chem Phys 53:4555–4566

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  16. McWeeny R (1956) Proc Royal Soc A 235:496–509

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  17. Imamura A, Fujita H (1974) J Chem Phys 61:115–125

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  18. Houk KN, Strozier RW (1973) J Amer Chem Soc 95:4094–4096

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  19. Imamura A, Hirano T (1975) J Amer Chem Soc 97:4192–4198

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  20. Imamura A, Ohsaku M (1981) Tetrahedron 37:2191–2195

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  21. Shinohara H, Imamura A, Masuda T, Kondo M (1978) Bull Chem Soc Jpn 51:1917–1922

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  22. Imamura A, Suhai S, Ladik J (1982) J Chem Phys 76:6067–6072

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  23. Kanda K, Koremoto K, Imamura A (1986) Tetrahedron 42:4169–4177

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  24. Aoki Y, Imamura A, Sasaki T (1988) Bull Chem Soc Jpn 61:1063–1070

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  28. Aoki Y, Imamura A (1992) J Chem Phys 97:8432–8440

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  29. Aoki Y, Suhai S, Imamura A (1994) J Chem Phys 101:10808–10823

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Acknowledgments

I greatly appreciate having had the opportunity to undertake research in the field of quantum chemistry under the stimulating guidance and mentorship of many excellent researchers, including but not limited to Prof. Kenichi Fukui, Prof. Roald Hoffmann and Prof. Janos Ladik. I am also grateful to all collaborators and undergraduate, graduate and postdoctoral students who have been involved in my research projects. I would also like to sincerely express my gratitude to my former PhD student, Prof. Yuriko Aoki at Kyushu University for her enormous endeavor to organize the publication of this special issue of this periodical, Theoretical Chemistry Accounts, with Prof. Karl James Jalkanen who undertook the editorial work (peer review process and English editing for all submissions, including this memoir manuscript, and for inviting many other international scientists (both young, middle-aged and old (retired and emeritus faculty)) who were also so kind to contribute some of their best works to this Festschrift Issue. Finally, I would like to thank Professor Chris Cramer, Editor in Chief of TCA, and Springer Verlag and their staff in Heidelberg, Steffen Pauley and Petra Treiber, for accepting the proposal of Prof. Yuriko Aoki and Prof. Karl James Jalkanen to undertake the endeavor to commemorate the occasion of my 77th birthday and recent retirement from administrative duties as President of Hiroshima Kokusai Gakuin University.

Author information

Authors and Affiliations

  1. Hiroshima Kokusai Gakuin University, 6-20-1 Nakano, Aki-ku, Hiroshima, 739-0321, Japan

    Akira Imamura

  2. Department of Energy and Material Sciences, Kyushu University, 6-1 Kasugakoen, Kasuga, Fukuoka, 816-8580, Japan

    Akira Imamura

Authors
  1. Akira Imamura
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Corresponding author

Correspondence to Akira Imamura.

Appendix

Appendix

Collaborators:

Yuriko Aoki:

1991–2011

Sandor Suhai:

1981–1999

Feng Long Gu:

2000–2011

Kazuyoshi Ueda:

1993–1997

Hiroko Fujita:

1966–1975

Yuji Kohno:

1990–1998

Graduate students:

Hideaki Umeyama:

1967–1971

Hiroyuki Shinohara:

1976–1978

Terumitsu. Kakumoto:

1983–1986

Yuriko Aoki:

1983–1988

Masato Suzuki:

1985–1987

Hiroyuki Toh:

1986–1989

Kouji Maeklawa:

1989–1993

Masaki Mitani:

1990–1995

Youji Kurihara:

1992–1998

Seiji Tani:

1984–1987

Gerd Räther:

(from Germany) 1998–1999

1.1 Publications of Akira Imamura from 1959 to 2010

  1. 1.

    Fukui K, Nagata C, Yonezawa T, Imamura A (1959) Expansion Formulae of Secular Determinant in Simple LCAO MO Treatment of Aromatic Hydrocarbons. Bull Chem Soc Jpn 32:450–451

  2. 2.

    Fukui K, Nagata C, Yonezawa T, Imamura A (1959) Density Matrix in Simple LCAO MO Method. Bull Chem Soc Jpn 32:452–454

  3. 3.

    Fukui K, Imamura A, Nagata C (1960) Electronic Structure and Antifungal Activity of Quinoline and Pyridine-n-Oxide Derivatives. Bull Chem Soc Jpn 32:122–123

  4. 4.

    Fukui K, Nagata C, Yonezawa T, Inamoto Y, Imamura A (1960) Electronic Structure and Carcinogenic Activity of Conjugated Compounds, Substituted Aromatic Hydrocarbons, Heteroaromatic Compounds and Azo Compounds. GANN 51:67–81

  5. 5.

    Fukui K, Imamura A, Nagata C (1960) Relation between the Electronic Structure and Carcinogenic Activity of 4-Nitroquinoline-n-oxide and Related Compounds. GANN 51:119–123

  6. 6.

    Fukui K, Nagata C, Imamura A (1960) Electronic Structure and Nicotine-like Stimulant Activity in Choline Phenyl Ethers. Science 132:87–89

  7. 7.

    Fukui K, Imamura A, Yonezawa T, Nagata C (1960) A Quantum–Mechanical Approach to the Theory of Aromaticity. Bull Chem Soc Jpn 33:1591–1599

  8. 8.

    Fukui K, Nagata C, Imamura A, Tagashira Y (1961) On the Relation between Electronic Structure and Carcinogenic Activity of Urethan (Ethylcarbamate) and Related Compounds. GANN 52:127–134

  9. 9.

    Fukui K, Nagata C, Yonezawa T, Morokuma K, Imamura A (1961) On the Relation between the Electronic Structure and anti-Tumor Activity of Carcinostatic Compounds. GANN 52:1–14

  10. 10.

    Fukui K, Morokuma K, Nagata C, Imamura A (1961) Electronic Structure and Biochemical Activities in Diethyl Phenyl Phosphates. Bull Chem Soc Jpn 34:1224–1227

  11. 11.

    Fukui K, Imamura A, Yonezawa T, Nagata C (1961) A Theoretical Treatment of Molecular Complexes. I. Silver-Aromatic Hydrocarbon Complexes. Bull Chem Soc Jpn 34:1076–1080

  12. 12.

    Fukui K, Nagata C, Imamura A, Yonezawa T, Tagashira Y (1962) Relationship between the Electronic Structure and Carcinogenic Activity of Acetamidefluorene and Related Compounds. GANN 53:25–40

  13. 13.

    Fukui K, Imamura A, Yonezawa T, Nagata C (1962) A Theoretical Treatment of Molecular Complexes. II. Iodine-Aromatic Hydrocarbon Complexes. Bull Chem Soc Jpn. 35:33–38

  14. 14.

    Fukui K, Kato H, Yonezawa T, Morokuma K, Imamura A, Nagata C (1962) σ-Electronic Structure in Conjugated Systems. Bull Chem Soc Jpn 35:38–45

  15. 15.

    Nagata C, Imamura A, Saito H, Fukui K (1963) Changes of π-Electron Distribution of Deoxyribonucleic Acid of the Alkylation and Their Possible Relation to the Biological Effect. GANN 54:109–117

  16. 16.

    Nagata C, Imamura A, Fukui K, Saito H (1963) Quantity of Charge Transfer and Carcinogenic Activity of 4-Nitroquinoline 1-Oxides and of Some Aromatic Hydrocarbons. GANN 54:401–414

  17. 17.

    Fukui K, Imamura A, Nagata C (1963) A Molecular Orbital Treatment of Phosphate Bonds of Biochemical Interest. II. Metal Chelates of Adenosine Triphosphate. Bull Chem Soc Jpn 36:1450–1453

  18. 18.

    Iguchi K, Nozaki T, Imamura A, Takahashi S (1963) The Ultraviolet Spectra of Monohalo-, Mononitro- and Monoamino-p-terphenyls. Bull Chem Soc Jpn 36:696–699

  19. 19.

    Naraba T, Mizushima Y, Noake H, Imamura A, Igarashi Y, Torihashi Y, Nishioka A (1965) Preparation and Electrical Properties of Polytetracyanoethylene Copper Chelate Film. Jpn J Appl Phys 4:977–986

  20. 20.

    Nagata C, Imamura A, Tagashira Y, Kodama M (1965) Semi-Empirical Self-Consistent Field Molecular Orbital Calculation of the Electronic Structure of the Base Components of Nucleic Acids. Bull Chem Soc Jpn 38:1638–1645

  21. 21.

    Nagata C, Imamura A, Tagashira Y, Kodama M, Fukuda N (1965) Quantum–Mechanical Study on the Photodimerization of Aromatic Molecules. J. theor Biol 9:357–365

  22. 22.

    Nagata C, Kodama M, Imamura A, Tagashira Y (1966) Interaction of Tricycloquinazoline and its Analog with DNA. GANN 57:75–84

  23. 23.

    Kodama M, Tagashira Y, Imamura A, Nagata C (1966) Effect of Secondary Structure of DNA upon Solubility of Aromatic Hydrocarbons. J Biochem 59:257–264

  24. 24.

    Imamura A, Kodama M, Tagashira Y, Nagata C (1966) The Semi-Empirical SCF Treatment of σ-π System I. Peptide Molecule. J theor Biol 10:356–369

  25. 25.

    Nagata C, Kodama M, Tagashira Y, Imamura A (1966) Interaction of Polynuclear Aromatic Hydrocarbons, 4-Nitroquinoline 1-Oxides, and Various Dyes with DNA. Biopolymers 4:409–427

  26. 26.

    Kataoka N, Imamura A, Kawazoe Y, Chihara G, Nagata C (1966). Chem Pharm Bull 14:897–902. http://www.journalarchive.jst.go.jp/jnlpdf.php?cdjournal=cpb1958&cdvol=14&noissue=8&startpage=897&lang=en&from=jnltoc

  27. 27.

    Nagata C, Kataoka N, Imamura A, Kawazoe Y, Chihara G (1966) Electron Spin Resonance Study on the Free Radicals Produced from 4-Hydroxyaminoquinoline 1-Oxide and its Significance in Carcinogenesis. GANN 57:323–335

  28. 28.

    Nagata C, Tagashira Y, Kodama M, Imamura A (1966) Free Radical Produced by Interaction of Aromatic Hydrocarbons with Tissue Components. GANN 57:437–440

  29. 29.

    Sugimura T, Okabe K, Imamura A (1966) Number of Cytoplasmic Factors in Yeast Cells. Nature 212:304–304. doi:10.1038/212304a0

  30. 30.

    Kataoka N, Imamura A, Kawazoe Y, Chihara G, Nagata C (1966) Electron Spin Resonance Study on the Photoinduced Radicals from Related Compounds to Carcinogenic 4-Nitroquinoline 1-Oxide. Chem Pharm Bull 14:1171–1178. http://www.journalarchive.jst.go.jp/jnlpdf.php?cdjournal=cpb1958&cdvol=14&noissue=10&startpage=1171&lang=en&from=jnltoc

  31. 31.

    Imamura A, Fujita H, Nagata C (1967) The Electronic Structure of Peptide and the Base Components of Nucleic Acids in the Triplet State. Bull Chem Soc Jpn 40:21–27

  32. 32.

    Kataoka N, Imamura A, Kawazoe Y, Chihara G, Nagata C (1967) The Structure of the Free Radical Produced from Carcinogenic 4-Hydroxyaminoquinoline 1-Oxide. Bull Chem Soc Jpn 40:62–68

  33. 33.

    Kataoka N, Shibata A, Imamura A, Kawazoe Y, Chihara G, Nagata C (1967) Oxidation Reaction of Carcinogenic 4-Hydroxyaminoquinoline 1-Oxide. Chem Pharm Bull 15:220–225. http://www.journalarchive.jst.go.jp/jnlpdf.php?cdjournal=cpb1958&cdvol=15&noissue=2&startpage=220&lang=en&from=jnltoc

  34. 34.

    Imamura A, Fujita H, Nagata C (1967) Semi-Empirical Self-Consistent Field Molecular Orbital Calculation of the Electronic Structure of the Base Pairs of Deoxyribonucleic Acid. Bull Chem Soc Jpn 40:522–526

  35. 35.

    Nagata C, Fujita H, Imamura A (1967) Semi-Empirical Self-Consistent Field Molecular Orbital Calculation of Transition Energy and Oscillator Strength for the Stacked Complexes of Pyrene and 3,4-Benzopyrene with DNA Bases. Bull Chem Soc Jpn 40:2564–2568

  36. 36.

    Hoffmann R, Imamura A, Zeiss GD (1967) The Spirarenes. J Am Chem Soc 89:5215–5220

  37. 37.

    Fujita H, Imamura A, Nagata C (1968) ASMO-SCF-CI Calculation on the Electronic Structures of the Bases of Nucleic Acids with Special Emphasis on the Configuration Interaction. Bull Chem Soc Jpn 41:2017–2026

  38. 38.

    Imamura A (1968) General Perturbation Theory for the Extended Hückel Method. Mol Phys 15:225–238. doi:10.1080/00268976800101011

  39. 39.

    Hoffmann R, Imamura A, Hehre WJ (1968) Benzynes, Dehydroconjugated Molecules, and the Interaction of Orbitals Separated by a Number of Intervening σ Bonds. J Am Chem Soc 90:1499–1509

  40. 40.

    Imamura A, Hoffmann R (1968) The Electronic Structure and Torsional Potentials in Ground and Excited States of Biphenyl, Fulvalene, and Related Compounds. J Am Chem Soc 90:5379–5385

  41. 41.

    Fujita H, Imamura A, Nagata C (1969) The Electronic Structure of Base Components of Nucleic Acids and Their Tautomers Calculated by CNDO Method. Bull Chem Soc Jpn 42:1467

  42. 42.

    Nagata C, Ioki Y, Inomata M, Imamura A (1969) Electron Spin Resonance Study on the Free Radicals Produced from Carcinogenic Aminonaphthols and N-Hydroxy-Aminonaphthalenes. GANN 60:509–522

  43. 43.

    Imamura A, Fujita H, Nagata C (1969) The Electronic Structures of Glycine in the Isolated State and in Water. Bull Chem Soc Jpn 42:3118–3123

  44. 44.

    Hoffmann R, Imamura A (1969) Quantum Mechanical Approach to the Conformational Analysis of Macromolecules in Ground and Excited States. Biopolymers 7:207–213

  45. 45.

    Imamura A (1970) Electronic Structures of Polymers Using the Tight-Binding Approximation. I. Polyethylene by the Extended Hückel Method. J Chem Phys 52:3168–3175

  46. 46.

    Nagata C, Imamura A (1970) Electronic Structures and Mechanism of Carcinogenicity for Alkylnitrosamines. GANN 61:169–176

  47. 47.

    Fujita H, Imamura A, Nagata C (1970) Tautomerism of the Anticodon Base and the Code Degeneracy. J theor Biol 28:143–145

  48. 48.

    Fujita H, Imamura A (1970) Electonic Structures of Polymers Using the Tight-Binding Approximation. II. Polyethylene and Polyglycine by the CNDO Method. J Chem Phys 53:4555–4566

  49. 49.

    Odell BG, Hoffmann R, Imamura A (1970) The 2, 3-Dimethylenetetramethylene Biradical. J Chem Soc B 1675–1678

  50. 50.

    Imamura A, Hirano T, Nagata C, Tsuruta T (1972) Calculation of Optical Rotational Strength by Means of Various Types of Molecular Orbitals. Bull Chem Soc Jpn 45:396–401

  51. 51.

    Fujita H, Imamura A (1972) The Intermolecular Potential of Hydrocarbon Dimers as Examined by the Perturbation Theory Including Exchange Energy in the PPP Approximation. Bull Chem Soc Jpn 45:668–677

  52. 52.

    Nagata C, Nakadate M, Ioki Y, Imamura A (1972) Electron Spin Resonance Study on the Free Radical Production from N-Methyl-N’-nitro-N-nitrosoguanidine. GANN 63:471–481

  53. 53.

    Matsuyama A, Imamura A (1972) CNDO/2 Calculations of Hydrogen Bonding; Phenol- and p-Nitrophenol-ammonia systems. Bull Chem Soc Jpn 45:2196–2197

  54. 54.

    Imamura A, Fujita H, Nagata C (1972) Calculation of Chemical Shifts of Inner-Shell Electrons for the DNA Bases by the CNDO/2 Method Including the Charge Redistribution Effect. J Am Chem Soc 94:6287–6293

  55. 55.

    Imamura A, Fujita H, Nagata C (1972) A Molecular Orbital Study on the Alkylation and Depurination Reactions of the Base Components of Nucleic Acids. J theor Biol 36:447–457

  56. 56.

    Nagata C, Imamura A, Fujita H (1973) Electronic Structure of Nucleic Acid Bases: Their Spectroscopic Properties, Chemical Reactivities, and Biological Activities. Adv Biophys 4:1–69

  57. 57.

    Umeyama H, Imamura A, Nagata C (1973) A Molecular Orbital Study on the Enzymic Reaction Mechanism of α-Chymotrypsin. J theor Biol 41:485–502

  58. 58.

    Imamura A, Hirano T, Nagata C, Tsuruta T, Kuriyama K (1973) A Method of Analysis of the Rotational Strength in Terms of the Contributions from Molecular Fragments in the CNDO/2 Approximation. J Am Chem Soc 95:8621–8627

  59. 59.

    Imamura A, Fujita H (1974) Electronic Structures of Polymers Using the Tight-Binding Approximation. III. Density Matrix Approach to Poly-l-alanine and Polyglycine-water Complex by the CNDO/2 Method. J Chem Phys 61:115–125

  60. 60.

    Umeyama H, Imamura A, Nagata C (1974) Molecular Orbital Study on the Interaction between Coenzymes and Enzymes; NAD+ or NADH and Dehydrogenases. J theor Biol 46:1–19

  61. 61.

    Fujita H, Imamura A, Nagata C (1974) A Molecular Orbital Study of Stability and the Conformation of Double-Stranded DNA-Like Polymers. J theor Biol 45:411–433

  62. 62.

    Imamura A, Nagata C (1974) A Molecular Orbital Study on the Chemical Reactivity and Biological Activity of N-Methyl-N’-nitro-N-nitrosoguanidine and Some Related Compounds. GANN 65:417–422

  63. 63.

    Umeyama H, Imamura A, Nagata C (1975) A Molecular Orbital Study on the Effects of Substituents on the Proton Transfer from Ser-195 to His-57 in the Hydrolysis of the α-Chymotrypsin. Chem Pharm Bull 23:3045–3055

  64. 64.

    Ioki Y, Imamura A, Nagata C, Nakadate M (1975) Photochemical Formation of Nitroxide Radicals from Carcinogenic N-Methyl-N’-nitro-N-nitrosoguanidine and Related Compounds. Photochem Photobiol 21:387–391

  65. 65.

    Imamura A, Hirano T(1975) A Novel Approach to the Theory of Catalytic Activity in Terms of Molecular Orbital Mixing. J Am Chem Soc 97:4192–4198

  66. 66.

    Nagata C, Fujita H, Imamura A (1976) A Molecular Orbital Study on the Interaction between the Cytochrome P-450 and its Substrates. Chem Biol Interactions 12:1–12

  67. 67.

    Umeyama H, Imamura A, Nagata C, Nakagawa S (1977) Molecular Orbital Study of Lactate Dehydrogenase. Chem Pharm Bull 25:1685–1693

  68. 68.

    Yamabe T, Tanaka K, Imamura A, Kato H, Fukui K (1977) The Electronic States of (SN)x and (SCH)x Polymers. Bull Chem Soc Jpn 50:798–801

  69. 69.

    Shinohara H, Imamura A, Masuda T, Kondo M (1978) A Molecular Orbital Study of the Partial Reactivity of the Hydrogen of Aliphatic Compounds in the Hydrogen-Abstraction Reaction by the Hydroxyl Radical. Bull Chem Soc Jpn 51:98–102

  70. 70.

    Shinohara H, Imamura A, Masuda T, Kondo M (1978) A Molecular Orbital Study of the Electrophilicity of Hydroxyl Radical in Hydrogen Abstraction Reaction. Bull Chem Soc Jpn 51:1917–1922

  71. 71.

    Ohsaku M, Imamura A, Hirao K (1978) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals. I. Interactions between Lone-pair Orbitals in Azines: Pyridazine, Pyrimidine, and Pyrazine. Bull Chem Soc Jpn 51:3443–3448

  72. 72.

    Tanaka K, Yamabe T, Fukui K, Imamura A, Kato H (1978) On the Interchain Interaction in the (SN)x Polymer. Chem Phys Lett 53:452–456

  73. 73.

    Umeyama H, Takeda K, Ogura H, Moriguchi I, Imamura A (1978) A Molecular Orbital Study on the n-π* Cotton Effect of ε-Caprolactam. Chem Pharm Bull 26:3440–3443. http://www.journalarchive.jst.go.jp/jnlpdf.php?cdjournal=cpb1958&cdvol=26&noissue=11&startpage=3440&lang=en&from=jnltoc

  74. 74.

    Ohsaku M, Imamura A (1978) Electronic Structure and Conformations of Polyoxymethylene and Polyoxyethylene. Macromol 11:970–976

  75. 75.

    Shinohara H, Imamura A, Masuda T, Kondo M (1979) A Molecular Orbital Study on the Partial Reactivity of Hydrogen of Various Amino Acids in the Abstraction Reaction by Hydroxyl Radical. Bull Chem Soc Jpn 52:1–7

  76. 76.

    Imamura A, Hirao K (1979) A Molecular Orbital Approach to the Electrophilicity of H and OH Radicals. Bull Chem Soc Jpn 52:287–292

  77. 77.

    Shinohara H, Imamura A, Masuda T, Kondo M (1979) Polarity of Free Radicals in Hydrogen Abstraction Reactions. Bull Chem Soc Jpn 52:974–979

  78. 78.

    Ohsaku M, Imamura A, Hirao K, Kawamura T (1979) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals. II. Long-range Proton Hyperfine Coupling in Bridgehead Alkyl Radicals: Bicyclo[1.1.1]pent-1-yl, Bicyclo[2.1.1]hex-1-yl and Bicyclo[2.2.1]hept-1-yl Radicals. Tetrahedron 35:701–706

  79. 79.

    Yamabe T, Tanaka K, Teramae H, Fukui K, Imamura A, Shirakawa H, Ikeda S (1979) The Electronic Structures of cis-Polyacetylene. Solid State Commun 29:329–333

  80. 80.

    Yamabe T, Tanaka K, Teramae H, Fukui K, Imamura A, Shirakawa H, Ikeda S (1979) Electronic Properties of Pure and Doped Polyacetylenes. J Phys C 12:L257–L262. doi:10.1088/0022-3719/12/7/003

  81. 81.

    Ohsaku M, Murata H, Imamura A, Hirao K (1979) A Quantitative Analysis of the Through-space and the Through-bond Interactions between Lone-pairs in Azines: Pyridazine, Pyrimidine, and Pyrazine. Tetrahedron 35:1595–1600

  82. 82.

    Imamura A, Koda M, Kato S (1979) A Molecular Orbital Study on the Chemical Reactivity and Biological Activity of Polycyclic Aromatic Hydrocarbon Diol-Epoxides in Connection with Bay Region Theory. GANN 70:291–296

  83. 83.

    Imamura A, Hirao K (1979) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals. III. Long Range Effect of Lone Pair Orbital to the Optical Rotatory Strength of the Carbonyl n-π* Transition in 3-Ketopiperidines. Tetrahedeon 35:2243–2248

  84. 84.

    Imamura A, Tanaka K, Yamabe T, Fukui K (1979) Molecular Orbital Theory of the Electronic Structures of One-Dimensional Molecular Crystals. Theoret Chim Acta 54:1–14. http://www.springerlink.com/content/ql681u6581706642/fulltext.pdf

  85. 85.

    Shinohara H, Imamura A, Masuda T, Kondo M (1979) A Molecular Orbital Study on the Nucleophilicity and the Electrophilicity of Free Radicals in Abstraction Reactions. Bull Chem Soc Jpn 52:2801–2807

  86. 86.

    Shinohara H, Imamura A (1979) The Origin of the Polarity of a Radical in Hydrogen Abstraction Reaction. Bull Chem Soc Jpn 52:3265–3270

  87. 87.

    Akagi K, Yamabe T, Kato H, Imamura A, Fukui K (1980) Analysis of the Rotational Strength by Means of Configuration Analysis Based on the Localized Molecular Orbitals. J Am Chem Soc 102:5157–5165

  88. 88.

    Ohsaku M, Murata H, Imamura A, Hirao K (1980) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals. IV. Long-range Proton Hyperfine Coupling in Exo-and Endo-Hydrogens in Bicyclo[2.1.1]hex-5-yl Radical. Tetrahedron 36:177–182

  89. 89.

    Imamura A, Koda M, Kato S (1980) A Molecular Orbital Study on the Carcinogenicity of Various Polycyclic Aromatic Hydrocarbon Diol-Epoxides. GANN 71:737–738

  90. 90.

    Ohsaku M, Imamura A (1980) CNDO/2 Calculations of the Relative Stability of Poly(l-proline I) and Poly(l-proline II). Int J Biol Macromol 2:347–354

  91. 91.

    Ohsaku M, Murata H, Imamura (1980) Long-range Resonance and Electrostatic Interactions in Poly-l-proline by the CNDO/2 Procedure. Int J Biol Macromol 2:381–382

  92. 92.

    Imamura A, Ohsaku M (1981) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals with Ab Initio Calculations. I. Lone-Pair Orbital Interactions in cis- and trans-Hydrazines. Tetrahedron 37:2191–2195

  93. 93.

    Ohsaku M, Izuoka T, Imamura A, Murata H (1981) Conformational Stability of Poly(trimethylene oxide) by CNDO/2 Calculations. Polymer 22:624–626

  94. 94.

    Ohsaku M, Murata H, Imamura A (1981) Electronic and Molecular Structures of (HCN)n Polymers. Eur Polymer J 17:327–332

  95. 95.

    Ohsaku M, Sasaki T, Murata H, Imamura A (1981) Electronic and Molecular Structures of (HCN)n Polymers: [(HCN)3]n. Eur Polymer J 17:913–917

  96. 96.

    Ohsaku M, Shigemi S, Murata H, Imamura A (1981) A Quantitative Analysis of the Through-space and the Through-bond Interactions between Lone-Pairs and σ-Frames: s-Triazine and s-Tetrazine. Tetrahedron 37:297–306

  97. 97.

    Imamura A, Tachibana A, Ohsaku M (1981) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals with ab Initio Calculations. II. Lone-pair Orbital Energies in Bicyclo Compounds: 7-Azabicyclo[2.2.1]heptane and 2-Azabicyclo[2.2.2]octane, and their N-Methyl Derivatives. Tetrahedron 37:2793–2796

  98. 98.

    Ohsaku M, Hatamoto T, Imamura A, Murata H (1981) Electronic and Molecular Structures of Poly(hydroxymethylene) and Poly(vinyl alcohol). Polymer J 13:733–740

  99. 99.

    Ohsaku M, Murata H, Imamura A, Tachibana A (1981) Molecular and Electronic Structures of Polythiomethylene(PTM). Polymer 22:1346–1348

  100. 100.

    Imamura A, Suhai S, Ladik J (1982) Perturbational Approach to the Interaction between Two Nearly Incommensurable Polymers. J Chem Phys 76:6067–6072

  101. 101.

    Ohsaku M, Kawamura T, Murata H, Imamura A (1982) CNDO/2 Calculations of the Relative Stability of Poly(γ-hydroxy-l-proline). Int J Biol Macromol 4:37–42

  102. 102.

    Ohsaku M, Murata H, Imamura A (1982) CNDO/2 Calculations of the Relative Stability of the Goniomers in Poly(DL-alanine). Int J Biol Macromol 4:103–106

  103. 103.

    Ohsaku M, Hatamoto T, Murata H, Imamura A (1982) Stability of the Crystal Structures of Poly(vinyl alcohol) (PVA) by CNDO/2 Calculations. Polymer 23:776–778

  104. 104.

    Imamura A, Kurumi Y, Danzuka T, Kodama M, Kawachi T, Nagao M (1983) Classification of Compounds by Cluster Analysis of Ames Test Data. GANN 74:196–204

  105. 105.

    Imamura A, Ohsaku M (1983) A Molecular Orbital Treatment on the Reactivity of Some Polycyclic Aromatic Hydrocarbon Diol-Epoxides. J theor Biol 102:511–519

  106. 106.

    Imamura A, Ohsaku M (1983) Theoretical Study on the Nature of the Hydrogen Bonds in an α-helical Polymer and its Model Systems. Polymer 24:1639–1643

  107. 107.

    Imamura A, Ohsaku M, Akagi K (1983) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals with ab Initio Calculations. III. Lone-pair Orbital Interaction in 1,4-Diazabicyclo[2.2.2]octane and its Model Molecules. Tetrahedron 39:1291–1297

  108. 108.

    Teramae H, Yamabe T, Satoko C, Imamura A (1983) Energy Gradient in the ab initio Hartree–Fock Crystal-Orbital Formalism of One-Dimensional Infinite Polymers. Chem Phys Lett 101:149–152

  109. 109.

    Ohsaku M, Imamura A (1983) Relative Stability of Poly(β-hydroxy-l-proline). Int J Biol Macromol 5:322–324

  110. 110.

    Teramae H, Yamabe T, Imamura A (1983) Ab Initio Effective Core Potential Studies on Polymers. Theor Chem Acc 64:1–12

  111. 111.

    Saito K, Kakumoto T, Kuroda H, Torii S, Imamura A (1984) Thermal Unimolecular Decomposition of Formic Acid. J Chem Phys 80:4989–4996

  112. 112.

    Ohsaku M, Imamura A (1984) Conformational Stability of Poly(trimethylene sulphide). Polymer 25:511–512

  113. 113.

    Teramae H, Yamabe T, Imamura A (1984) Ab Initio Studies on the Geometrical and Vibrational Structures of Polymers. J Chem Phys 81:3564–3572

  114. 114.

    Ohsaku M, Ichiishi T, Imamura A, Hayashi M (1984) Ab Initio Self-Consistent Field MO Calculations of Ethanethiol and Ethanol. Bull Chem Soc Jpn 57:2791–2796

  115. 115.

    Ohsaku M, Imamura A (1984) Conformational Analyses of Poly(methylene disulphide). Polymer Commun 25:251–253

  116. 116.

    Ohsaku M, Izumi J, Imamura A (1984) Electronic Structures of Collagen Model Polymers: (Gly-Pro)n, (Gly-Hyp)n, (Ala-Pro)n, (Ala-Hyp)n, (Gly-Pro-Gly)n, (Gly-Hyp-Gly)n, (Gly-Pro-Pro)n, (Gly-Pro-Hyp)n. Int J Biol Macromol 6:234–240

  117. 117.

    Ohsaku M, Taketoshi M, Imamura A (1985) A Theoretical Study on the Inter-chain Interactions in Poly(amino acid)s. J Mol Struct (Theochem) 119:307–317

  118. 118.

    Ohsaku M, Imamura A (1985) Ab Initio SCF MO Conformational Analysis of 2,3-Butadien-1-ol. J Mol Struct (Theochem) 119:319–327

  119. 119.

    Kakumoto T, Saito K, Imamura A (1985) Thermal Decomposition of Formamide: Shock Tube Experiments and ab Initio Calculations. J Phys Chem 89:2286–2291

  120. 120.

    Saito K, Kakumoto T, Nakanishi Y, Imamura A (1985) Thermal Decomposition of Formaldehyde at High Temperatures. J Phys Chem 89:3109–3113

  121. 121.

    Imamura A, Aoki Y (1985) A Novel Iterative Transfer Perturbation Method and Its Application to the Extended Hückel Method. Bull Chem Soc Jpn 58:1376–1379

  122. 122.

    Imamura A, Aoki Y, Suhai S, Ladik J (1985) Perturbational Approach to the Interaction between a Polymer and a Small Molecule. J Chem Phys 83:5727–5734

  123. 123.

    Aoki Y, Imamura A, Teramae H (1985) A Trough Space/Bond Interaction Analysis on the Shape of Band Structure of Polynitrilomethylidyne. Bull Chem Soc Jpn 58:2737–2745

  124. 124.

    Imamura A, Tani S, Taketoshi M, Danzuka T (1985) The Relation between Ames Test Data and Electronic Structure for a Series of Benzidine Derivatives Investigated by Using Cluster Analysis. GANN 76:937–945

  125. 125.

    Ohsaku M, Imamura A (1985) An ab initio SCF MO Study of Conformational Stability in Ethyl Methyl Sulphide. Mol Phys 55:331–339

  126. 126.

    Imamura A, Okajima T, Kanda K (1986) A Molecular Orbital Approach to the Effect of Acid and Base on Mutarotation of d-Glucose. Bull Chem Soc Jpn 59:943–945

  127. 127.

    Kanda K, Imamura A (1986) Theoretical Study on the Stability of Hexafluoro Dewar Benzene. J Mol Struct (Theochem) 136:111–119

  128. 128.

    Saito K, Ito R, Kakumoto T, Imamura A (1986) The Initial Process of the Oxidation of the Methyl Radical in Reflected Shock Waves. J Phys Chem 90:1422–1427

  129. 129.

    Aoyama T, Imamura A, Matsubara H, Imamura T, Sugahara T (1986) Computer Simulation of Radiation-Induced Late Effects by “System Dynamics”. J Radiat Res 27:230–239

  130. 130.

    Saito K, Ueda Y, Ito R, Kakumoto T, Imamura A (1986) Measurements of the Bimolecular Rate Constants for S + O2 → SO + O and CS2 + O2 → CS + SO2 at High Temperatures. Int J Chem Kinet 18:871–884

  131. 131.

    Kanda K, Koremoto T, Imamura A (1986) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals with ab Initio Calculations. IV. Role of Relay Orbitals in Perpendicular π-Systems. Tetrahedron 42:4169–4177

  132. 132.

    Imamura A, Aoki Y (1986) An Iterative Transfer Perturbation Method and its Application to the Interaction between a Polymer and a Small Molecule. Chem Phys Lett 130:390–394

  133. 133.

    Kakumoto T, Ushirogouchi T, Saito K, Imamura A (1987) Isomerization of Allene ⇄ Propyne in Shock Waves and ab initio Calculations. J Phys Chem 91:183–189

  134. 134.

    Kakumoto T, Saito K, Imamura A (1987) Unimolecular Decomposition of Oxalic Acid. J Phys Chem 91:2366–2371

  135. 135.

    Imamura A, Aoki Y (1987) Iterative Transfer Perturbation Method and its Applications to the Interaction between a Polymer and Small Molecules. Synthetic Metals 17:135–141

  136. 136.

    Toh H, Imamura A, Kanda K (1987) Role of Mg2+ in the Ribozyme System. FEBS Lett 219:279–282

  137. 137.

    Imamura A, Aoki Y (1987) Perturbational Approach to Aperiodicity of Polymer Systems. Int J Quantum Chem 32 (Quantum Chemistry Symposium) 21:137–151. doi:10.1002/qua.560320717

  138. 138.

    Tani S, Imamura A, Kanda (1987) A Molecular Orbital Study of the Metabolic Pathway with Hydroquinone Intermediate from Benzene as Carcinogen. J Biol Phys 15:17–21

  139. 139.

    Aoki Y, Imamura A, Sasaki T (1988) A Through Space/Bond Interaction Analysis of the Shape of the Band Structure of Polyacetylene. Bull Chem Soc Jpn 61:1063–1070

  140. 140.

    Aoki Y, Imamura A, Morokuma K (1988) Self-Consistent-Field Iterative Transfer Perturbation Method and its Application to the Interaction between a Polymer and a Small Molecule. J Chem Phys 89:1147–1152

  141. 141.

    Saito K, Makishita K, Kakumoto T, Sasaki T, Imamura A (1988) Unimolecular Thermal Reaction of Formaldoxime at High Temperatures: Experiments and Calculations. J Phys Chem 92:4371–4374

  142. 142.

    Imamura A, Tani S, Kanda K (1988) Molecular Orbital Study on the Metabolic Pathway through the Diol Epoxide Form of Carcinogenic Benzene in Comparison with Benzo[a]pyrene. J theor Biol 135:215–218

  143. 143.

    Toh H, Imamura A, Kanda K (1989) Whether Zn2+ for the Polymerase System was Selected Inevitably or by Historical Accident. J theor Biol 136:79–85

  144. 144.

    Aoki Y, Imamura A, Morokuma K (1989) Self-Consistent-Field Variational Approach to the Interaction between a Polymer and a Small Molecule. Theor Chem Acc 75:247–260

  145. 145.

    Imamura A, Ye K, Taketoshi M (1989) A Theoretical Study of the Ionized State of Polymers with the Localized Molecular Orbital Method. Bull Chem Soc Jpn 62:979–984

  146. 146.

    Suzuki M, Imamura A (1989) Application of the Recursion Method to the Study of the End Effects on the Bond Length Alternation in Polyacetylene. Int J Quantum Chem 35: 613–628

  147. 147.

    Aoki Y, Watanabe E, Imamura A (1989) An Energy-Decomposition Technique for the Analysis of Band Structure and its Application to Polyphosphazene and its Halogenated Derivatives. J Mol Struct (Theochem) 188:321–335

  148. 148.

    Tani S, Imamura A, Kanda K (1989) Kinetic Approach with ab initio MO Method on Ionic Selectivity and Size in Sodium Channel. J theor Biol 140:519–536

  149. 149.

    Ushio T, Kato T, Ye K, Imamura A (1989) An Analysis of the Through-bond Interaction Using the Localized Molecular Orbitals with ab initio Calculations. V. HOMO Energy Levels of Many Propellane Compounds. Tetrahedron 45:7743–7758

  150. 150.

    Saito K, Adachi K, Watanabe W, Shimofuji K, Imamura A (1990) The Thermal Unimolecular Decomposition of 3,4-Dihydro-2H-pyran behind Reflected Shock Waves. Chem Phys Lett 165:383–385

  151. 151.

    Saito K, Mochizuki Y, Yoshinobu I, Imamura A (1990) On the Thermal Unimolecular Decomposition of Propynal. Chem Phys Lett 167:347–350

  152. 152.

    Seki K, Tanaka H, Ohta T, Aoki Y, Imamura A, Fujimoto H, Yamamoto H, Inokuchi H (1990) Electronic Structure of Poly(tetrafluoroethylene) Studied by UPS, VUV Absorption, and Band Calculations. Physica Scripta 41:167–171

  153. 153.

    Hayashi S, Aoki Y, Imamura A (1990) A Study Using a Through-Space/Bond Interaction Analysis for the Band Structures of Substituted Polyacetylene-Be Systems. Synthetic Metals 36:1–25

  154. 154.

    Watanabe E, Imamura A (1990) A Study on Peierls Instability in Quasi-One-Dimensional-System with Interchain-Interactions. Semi-Empirical Self-Consistent-Field Molecular Orbital Approach. Bull Chem Soc Jpn 63:1678–1683

  155. 155.

    Aoki Y, Imamura A, Murata I (1990) A Molecular Orbital Study on the Electron Donating and Accepting Abilities of non-Alternant Polycyclic Conjugated Hydrocarbons. Tetrahedron 46:6659–6672

  156. 156.

    Saito K, Sasaki T, Yoshinobu I, Imamura A (1990) Thermal Decomposition of Ethyl Acetate. Branching ratio of the Competing Paths in the Pyrolysis of the Produced Acetic Acid. Chem Phys Lett 170:385–388

  157. 157.

    Akagi K, Kadokura T, Shirakawa H, Teramae H, Imamura A (1990) Geometrical and Electronic Structures of Polyacetylene Chlorinated via Prolonged Chemical Doping. Int J Quantum Chem 24:41–50

  158. 158.

    Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A, Chen C (1990) Reactions of N(4S) atoms with NO and H2. J Chem Phys 93:8703–8708

  159. 159.

    Hayashi S, Yabushita S, Imamura A (1991) Ab initio Calculations of Linear and Nonlinear Polarizabilities in the Side-Chain Direction on the Conjugated Polymers. Chem Phys Lett 179:405–409

  160. 160.

    Shimofuji K, Saito K, Imamura A (1991) Unimolecular Thermal Decomposition of Ethyl Vinyl Ether and the Consecutive Thermal Reaction of the Intermediary Product Acetaldehyde: Shock Wave Experiment and ab Initio Calculation. J Phys Chem 95:155–165

  161. 161.

    Aoki Y, Imamura A (1991) Self-Consistent-Field Perturbational Approach to Aperiodic Polymers. J Mol Struct (Theochem) 235:95–105

  162. 162.

    Imamura A, Aoki Y, Maekawa K (1991) A Theoretical Synthesis of Polymers by Using Uniform Localization of Molecular Orbitals: Proposal of an Elongation Method. J Chem Phys 95:5419–5431

  163. 163.

    Sugihara Y, Yagi T, Murata I, Imamura A (1992) 1-Phenylthieno[3,4-d]borepine: A New 10 π Electron System Isoelectronic with Azulene. J Am Chem Soc 114:1479–1481

  164. 164.

    Hayashi S, Imamura A (1992) A Study of the Polarization Reversal in Poly(vinylidene Fluoride) Using Molecular Orbital Calculations. J Polym Sci B 30:769–773

  165. 165.

    Kohno Y, Maekawa K, Azuma N, Tsuchioka T, Hashizume T, Imamura A (1992) Ab Initio calculations for a relationship between impact sensitivity and molecular structure in HMX polymorphs. Kogyo Kayaku 53:227–237

  166. 166.

    Aoki Y, Imamura A (1992) A Simple Treatment to Design NBMO Degenerate Systems in Alternant and non-Alternant Hydrocarbons. Theor Chem Acc 84:155–180

  167. 167.

    Aoki Y, Imamura A (1992) Local Density of State of Aperiodic Polymers Using the Localized Orbitals from an ab initio Elongation Method. J Chem Phys 97:8432–8440

  168. 168.

    Maekawa K, Imamura A (1993) Stationary Conditions of the Electronic Structures Against the Extension of Molecular Systems and their Application to the Elongation Method. J Chem Phys 98:534–542

  169. 169.

    Ueda K, Ochiai H, Imamura A, Yamaoka K (1993) An Observation of the Electric Birefringence Signal of κ-Carrageenan Gel. Chem Lett 601–604

  170. 170.

    Maekawa K, Imamura A (1993) Stationary Space Analysis of the Electronic Structure of a Polymer System: From Cluster Model to Cluster-Series Model. J Chem Phys 98:7086–7091

  171. 171.

    Itaya T, Ueda K, Ochiai H, Imamura A (1993) Binding of Hydrophobic Counterions by Polyelectrolyte and Their Hydrophobic Association around Polyion. Polymer J 25:545–552

  172. 172.

    Suenobu K, Tani S, Imamura A (1993) An ab initio Molecular Orbital Study on Effect of Electric Field Strength on Ionic Selectivity of the Sodium Channel. J theor Biol 161:395–403

  173. 173.

    Imamura A, Mitani M (1993) A study of the Crystal Growth Process by Using the Elongation Method. New Func Mater C 83–88

  174. 174.

    Maekawa K, Imamura A (1993) Electronic Structures around the Local Defects in all-trans-Polyacetylene: An Analysis by the Cluster-Series Model. Int J Quantum Chem 47:449–467

  175. 175.

    Kohno Y, Maekawa K, Tsuchioka T, Hashizume T, Imamura A (1993) A Molecular Orbital Study on the Effects of Electron Correlation on the Unique N–N Bond in Nitramines. Chem Phys Lett 214:603–608

  176. 176.

    Itaya T, Ochiai H, Ueda K, Imamura A (1993) Stacking Interaction of Naphthalenesulfonate Ions around Poly (allylammonium) Cation. Macromolecules 26:6021–6026

  177. 177.

    Kubota H, Aoki Y, Imamura A (1994) Ab initio Study of the Relationship between the Pressure and the Change in the Dipole Moment of a Molecule in a Ferroelectric Crystal. Bull Chem Soc Jpn 67:13–20

  178. 178.

    Itaya T, Ochiai H, Aoyama T, Ueda K, Imamura A (1994) Association of Hydrophobic Counterions in Aqueous Solution of Poly(allylammonium) Chloride: Comparison between p-n-Propylbenzenesulfonate and p-iso-Propylbenzenesulfonate Ions. J Polym Sci B 32:171–177

  179. 179.

    Mitani M, Aoki Y, Imamura A (1994) A Novel Molecular Orbital Method for the Calculations of Polymer Systems with Local Aperiodic Part: The Combination of the Elongation Method with the Supercell Method. J Chem Phys 100:2346–2358

  180. 180.

    Ueda K, Sato S, Ochiai H, Imamura A, Yamaoka K (1994) An Investigation of the Ionic Polarization of Carrageenans with Different Charge Densities. Chem Lett 763–766

  181. 181.

    Kohno Y, Maekawa K, Tsuchioka T, Hashizume T, Imamura A (1994) A Relationship between the Impact Sensitivity and the Electronic Structures for the Unique N–N Bond in the HMX Polymorphs. Combust Flame 96:343–350

  182. 182.

    Itaya T, Ochiai H, Ueda K, Imamura A (1994) Aggregation of Polycation and Surfactant Anion Studied by Energy Transfer from 2-Naphthalenesulfonate Ion to 1-Pyrenesulfonate Ion. Polymer 35:2004–2006

  183. 183.

    Itaya T, Kawabata Y, Ochiai H, Ueda K, Imamura A (1994) Charge-Transfer Complexation in Aqueous Polyelectrolyte Solution. I. Complexation between Dimethoxyanthracenesulfonate Ion and Anthraquinonesulfonate Ion. Bull Chem Soc Jpn 67:1538–1543

  184. 184.

    Ueda K, Ochiai H, Imamura A, Nakagawa S (1994) Molecular Mechanics and Molecular Dynamics Simulation on the Conformation of Dimer Units of Carrageenan in Water. Kobunshi Ronbunshu 51:400–408

  185. 185.

    Itaya T, Kawabata Y, Ochiai H, Ueda K, Imamura A (1994) Charge-Transfer Complexation in Aqueous Polyelectrolyte Solution. II. Interaction between Polycations and CT Complexes. Bull Chem Soc Jpn 67:2047–2052

  186. 186.

    Imamura A, Aoki Y, Nishimoto K, Kurihara Y, Nagao A (1994) Calculations of the Electronic Structure of Various Aperiodic Polymers by an Elongation Method. Int J Quantum Chem 52:309–319

  187. 187.

    Y. Sugihara, R. Miyatake, T. Yagi, I. Murata, M. Jinguji, T. Nakazawa and A. Imamura, Thienoborepins: Conjugation Characteristics in Boron Heterocycles. Tetrahedron 50, 6495–6504 (1994).

  188. 188.

    Mitani M, Imamura A (1994) Application of the Elongation Method to the Calculation of Electronic Structures of the Interface and the Local Defect states in a Polymer: An Analysis of the Periodicity in the Electronic States of a Nonperiodic Polymer by Using the Cluster-Series Calculation. J Chem Phys 101:7712–7728

  189. 189.

    Aoki Y, Suhai S, Imamura A (1994) An Efficient Cluster Elongation Method in Density Functional Theory and its Application to Poly-Hydrogen-Bonding Molecules. J Chem Phys 101:10808–10823

  190. 190.

    Aoki Y, Suhai S, Imamura A (1994) A Density Functional Elongation Method for the Theoretical Synthesis of Aperiodic Polymers. Int J Quantum Chem 52:267–280

  191. 191.

    Ueda K, Ochiai H, Imamura A, Nakagawa S (1995) An Investigation of the Conformation of β-Carrageenan by Molecular Mechanics and Molecular Dynamics Simulations. Bull Chem Soc Jpn 68:95–106

  192. 192.

    Mitani M, Aoki Y, Imamura A (1995) Electronic Structures of Large, Extended, Nonperiodic Systems by Using the Elongation Method: Model Calculations for the Cluster Series of a Polymer and the Molecular Stacking on a Surface. Int J Quantum Chem 54:167–196

  193. 193.

    Sugihara Y, Miyatake R, Murata I, Imamura A (1995) 5-Methyl-1-phenylpyrrolo[3,4-d]borepin: A Polarized Aromatic Molecule. J Chem Soc Chem Commun 1249–1250

  194. 194.

    Mitani M, Imamura A (1995) A General Quantum Chemical Approach to Study the Locally Perturbed Periodic Systems: A New Development of the ab initio Crystal Elongation Method. J Chem Phys 103:663–675

  195. 195.

    Aoki Y, Imamura A (1995) An Analytical Hückel-Type Approach to the Relationship between Peierls Instability in Polyenes and Interchain Interaction. J Chem Phys 103:9726–9737

  196. 196.

    Kawabata Y, Itaya T, Sasaki Y, Ochiai H, Ueda K, Imamura A (1995) Effects of Polyelectrolytes on the Complexation between Pyrenesulfonate and Anthraquinonesulfonate Ions. Polymer J 27:542–546

  197. 197.

    Imamura A, Kubota H, Ogawa Y, Aoki Y (1996) Molecular Orbital Study of the Ferroelectricity of Odd Nylons. Mol Cryst Liq Cryst 278:99–109

  198. 198.

    Kohno Y, Ueda K, Imamura A (1996) Molecular Dynamics Simulations of Initial Decomposition Process on the Unique N–N Bond in Nitramines in the Crystalline State. J Phys Chem 100:4701–4712

  199. 199.

    Kawabata Y, Itaya T, Sasaki Y, Ochiai H, Ueda K, Imamura A (1996) Charge-Transfer Complexation in Aqueous Polyelectrolyte Solution. III. Complexation between Pyrenesulfonate or Anthracenesulfonate and Anthraquinonesulfonate Ions. Bull Chem Soc Jpn 69:2453–2459

  200. 200.

    Aoki Y, Tada T, Imamura A (1997) Molecular Orbital Approach to the Peierls Instability in Polyenes and its Application to Model Crystals of Charge-Transfer Complexes. Int J Quantum Chem 64:325–336

  201. 201.

    Mitani M, Aoki Y, Imamura A (1997) Geometry Optimization of Polymers by the Elongation Method. Int J Quantum Chem 64:301–323

  202. 202.

    Kawabata Y, Itaya T, Sasaki Y, Ochiai H, Ueda K, Imamura A (1997) Effects of Acceptor Structure on Charge-Transfer Complexation in Aqueous Polyelectrolyte Solution. Polymer J 29:211–217

  203. 203.

    Imamura A, Ohtani H, Aoki Y (1997) Imamura A, Ohtani H, Aoki Y (1997) Model Calculations of the Intrinsic Reaction Coordinate for the Ion Permeation of Sodium Channels. In Sokabe M, Auerbach A, Sigworth F (ed) Progress in Cell Research: Towards Molecular Biophysics of Ion Channels, Elsevier, Amsterdam, 6:253–259

  204. 204.

    Kurihara Y, Aoki Y, Imamura A (1997) Calculations of the Excitation Energies of all-trans and 11,12s-dicis Retinals Using Localized Molecular Orbitals Obtained by the Elongation Method. J Chem Phys 107:3569–3575

  205. 205.

    Imamura A, Aoki Y (1997) An Elongation Method to Calculate the Electronic Structure of non-Periodical and Periodical Polymers. Advances in Colloid and Interface Science 71–72:147–164. doi:10.1016/S0001-8686(97)90015-4

  206. 206.

    Ueda K, Sato S, Ochiai H, Imamura A (1997) Ionic Polarization of Carrageenans with Different Charge Densities as Studied by Electric Birefringence Measurements. J Phys Chem B 101:3653–3664

  207. 207.

    Kurihara Y, Aoki Y, Imamura A (1998) Calculations of Phase Transition of Polydiacetylenes Using Localized Molecular Orbitals by Elongation Method. J Chem Phys 108:10303–10308

  208. 208.

    Tada T, Aoki Y, Imamura A (1998) The Contributions of Chalcogen to the Peierls Instability in Model Crystals of Charge-Transfer Complexes. Synthetic Metals 95:169–177

  209. 209.

    Yamazaki T, Aoki Y, Imamura A (1998) A Method for Calculating Electric Dipole Transition Moments Using Small CI Spaces Based on the Concept of Interaction Frontier Orbitals. Chem Phys Lett 295:431–438

  210. 210.

    Ueda K, Imamura A, Brady JW (1998) Molecular Dynamics Simulation of a Double-Helical β-Carrageenan Hexamer Fragment in Water. J Phys Chem A 102:2749–2758

  211. 211.

    Ueda K, Itoh M, Matsuzaki Y, Ochiai H, Imamura A (1998) Observation of the Molecular Weight Change during the Helix-Coil Transition of κ-Carrageenan Measured by the SEC-LALLS Method. Macromolecules 31:675–680

  212. 212.

    Imamura A, Orimoto Y, Aoki Y (1999) Molecular and Electronic Structures of Bipolaron in Poly-para-phenylene in Terms of Molecular Orbitals Symmetry.Theor Chem Acc 102:180–187

  213. 213.

    Räther G, Aoki Y, Imamura A (1999) Performance of the Elongation Method with Larger Basis Sets. Int J Quantum Chem 74:35–47

  214. 214.

    Aoki Y, Imamura A (1999) A Simple Rule to Find Non-Disjoint NBMO Degenerate Systems for Designing High-Spin Organic Molecules. Int J Quantum Chem 74:491–502

  215. 215.

    Imamura A, Sugiyama H, Orimoto Y, Aoki Y (1999) Ab Initio Through Space/Bond Interaction Analysis on the Stereoelectronic Effect by Modifying the Exponents of the Basis Set. Int J Quantum Chem 74:761–768

  216. 216.

    Ladik J, Imamura A, Aoki Y, Ruiz MBRY, Otto P (1999) Approximate Methods of the Calculation of Effective Energies in Disordered Chains I. Comparative Theoretical Study of the Energy Properties of Structural Isomers of Polypropene. J Mol Struct (Theochem) 491:49–55

  217. 217.

    Tamura H, Zhou H, Sugisato K, Yokoi Y, Takami S, Kubo M, Teraishi K, Miyamoto A, Imamura A, Gamo MN, Ando T (2000) Periodic density-functional study on oxidation of diamond (100) surfaces. Phys Rev B 61:11025–11033

  218. 218.

    Kim M, Lee M, Kim U, Kimura M, Aoki Y, Imamura A (2001) Theoretical Synthesis of Poly-(2-hydroxyethylenemethacrylate) by Uniform Localization of Molecular Orbitals Calculation. J Polym Sci A 39:2677–2682

  219. 219.

    Wan X, Yoshizawa K, Ohashi N, Endou A, Takami S, Kubo M, Miyamoto A, Imamura A (2001) A Theoretical Study of Interaction of Oxygen with Noble Metal Clusters. Scripta Mater 44:1919–1923

  220. 220.

    Inaba Y, Onozu T, Takami S, Kubo M, Miyamoto A, Imamura A (2001) Computational Chemistry Study on Crystal Growth of InGaN/GaN. Jpn J Appl Phys 40:2991–2995

  221. 221.

    Fushimi M, Ando M, Kurokawa H, Zhou H, Takami S, Kubo M, Imamura A, Miyamoto A (2002) Molecular Dynamics Study of Propylene Polymerization on Ziegler–Natta Catalyst. Kobunshi Ronbunshu 59:224–229

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    Sugiki S, Aoki Y, Imamura A (2002) A quantum chemical study on the phase transition from a π-conjugated stacking system to a covalent bonding system. J Mol Struct (Theochem) 579:45–52

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    Yokosuka T, Kurokawa H, Takami S, Kubo M, Miyamoto A, Imamura A (2002) Development of New Tight-binding Molecular Dynamics Program to Simulate Chemical–Mechanical Polishing Processes. Jpn J Appl Phys 41:2410–2413

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    Elanany M, Selvam P, Yokosuka T, Takami S, Kubo M, Imamura A, Miyamoto A (2003) A Quantum Molecular Dynamics Simulation Study of the Initial Hydrolysis Step in Sol–Gel Process. J Phys Chem B 107:1518–1524

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    Suzuki K, Kuroiwa Y, Takami S, Kubo M, Miyamoto A, Imamura A (2003) Tight-binding quantum chemical molecular dynamics study of cathode materials for lithium secondary battery. Solid State Ionics 152–153:273–277

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    Sakata K, Yokosuka T, Kurokawa H, Takami S, Kubo M, Imamura A, Shinmura T, Kanoh M, Miyamoto A (2003) Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes. Jpn J Appl Phys 42:1859–1864

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    Yokosuka T, Sakata K, Kurokawa H, Takami S, Kubo M, Imamura A, Kitahara Y, Kanoh M, Miyamoto A (2003) A Theoretical Study on the Realistic Low Concentration Doping in Silicon Semiconductors by Accelerated Quantum Chemical Molecular Dynamics Method. Jpn J Appl Phys 42:1877–1881

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    Yokosuka T, Sakata K, Kurokawa H, Takami S, Kubo M, Imamura A, Miyamoto A (2003), Quantum Chemical Molecular Dynamics Studies on the Chemical Mechanical Polishing Process of Cu Surface. Jpn J Appl Phys 42:1897–1902

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    Luo Y, Selvam P, Ito Y, Takami S, Kubo M, Imamura A, Miyamoto A (2003), Ring Opening of Methylenecyclopropane over Lanthanocene Catalyst: A Quantum-Chemical Molecular Dynamics Simulation Study. Organometallics 22:2182–2183

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    Mukawa T, Goto T, Nariai H, Aoki Y, Imamura A, Takeuchi T (2003) Novel strategy for molecular imprinting of phenolic compounds utilizing disulfide templates. J Pharm Biomed Anal 30:1943–1947

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    Kawabata Y, Itaya T, Ueda K, Ochiai H, Aoki Y, Imamura A (2003) Novel-Type Charge-Transfer Complex Formation between Indoxyl Sulfate and Anthraquinonesulfonate Ions in an Aqueous Polyelectrolyte Solution. Polym J 35:50–55

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    Gu FL, Aoki Y, Imamura A, Bishop DM, Kirtman B (2003) Application of the elongation method to nonlinear optical properties: finite field approach for calculating static electric (hyper) polarizabilities. Mol Phys 101:1487–1494

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    Kawabata Y, Itaya T, Ueda K, Aoki Y, Imamura A (2003) A Theoretical Treatment of Charge-Transfer Interaction in an Aqueous Solution of Polyelectrolyte. Polym J 35:573–577

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    Kubo M, Ando M, Sakahara S, Jung C, Seki K, Kusagaya T, Endou A, Takami S, Imamura A, Miyamoto A (2004) Development of tight-binding, chemical-reaction-dynamics simulator for combinatorial chemistry. Appl Surface Sci 233:188–195

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    Tada T, Aoki Y, Imamura A (2004) An analytical molecular orbital approach in Tetrathiafulvalene Tetracyanoquinodi-methane (TTF-TCNQ). Mol Phys 102:1891–1901

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    Gu FL, Aoki Y, Korchowiec J, Imamura A, Kirtman B (2004) A new localization scheme for the elongation method. J Chem Phys 121:10385–10391

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    Ohnishi S, Gu FL, Naka K, Imamura A, Kirtman B, Aoki Y (2004) Calculation of Static (Hyper)Polarizabilities for π-Conjugated Donor/Acceptor Molecules and Block Co-Polymers by the Elongation Finite-Field Method. J Phys Chem A 108:8478–8484

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    Korchowiec J, Gu FL, Imamura A, Kirtman B, Aoki Y (2005) Elongation Method with Cut-off Technique for Linear SCF Scaling. Int J Quantum Chem 102:785–794

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    Suzuki A, Selvam P, Kusagaya T, Takami S, Kubo M, Imamura A, Miyamoto A (2005) Chemical Reaction Dynamics of PeCB and TCDD Decomposition: A Tight-Binding Quantum Chemical Molecular Dynamics Study with First-Principles Parametrization. Int J Quantum Chem 102:318–327

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    Imamura A, Aoki Y (2006) Molecular design of π-conjugated single-chain electronically conductive polymer. Int J Quantum Chem 106:1924–1933

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    Orimoto Y, Gu FL, Imamura A, Aoki Y (2007) Efficient and accurate calculations on the electronic structure of B-type poly(dG)-poly(dC) DNA by elongation method: First step toward the understanding of the biological properties of aperiodic DNA. J Chem Phys 125:215104

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    Aoki Y, Gu FL, Orimoto Y, Suhai S, Imamura A (2007) Elongation Method Applied to Aperiodic Systems—Random Polypeptides, High Spin Alignment, Polymer in Solvent, and DNA. In: Maroulis G, Simos TE (ed) AIP Conference Proceedings 963: Computational Methods in Science and Engineering: Theory and Computation: Old Problems and New Challenge, Lectures Presented at the ICCMSE 2007, pages 120–137. http://scitation.aip.org/proceedings/confproceed/963.jsp

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    Orimoto Y, Gu FL, Korchowiec J, Imamura A, Aoki Y (2010) Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field. Theor Chem Acc 125:493–501

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    Pomogaeva A, Gu FL, Imamura A, Aoki Y (2010) Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2, 1, 3-chalcogendiazoles by the elongation method. Theor Chem Acc 125:453–460

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Imamura, A. Akira Imamura: a scientific memoir (1950–2011). Theor Chem Acc 130, 575–593 (2011). https://doi.org/10.1007/s00214-011-0988-7

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