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Three-dimensional Rism Theory for Molecular Liquids and Solid-Liquid Interfaces

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Molecular Theory of Solvation

Part of the book series: Understanding Chemical Reactivity ((UCRE,volume 24))

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References

  1. N. G. Parsonage and D. Nicholson, J. Chem. Soc. Faraday Trans. II 82, 1521 (1986); 83, 663 (1987).

    CAS  Google Scholar 

  2. E. Spohr and K. Heinzinger, Chem. Phys. Lett. 123, 218 (1986).

    Article  CAS  Google Scholar 

  3. E. Spohr and K. Heinzinger, Electrochimica Acta 33, 1211 (1988).

    Article  CAS  Google Scholar 

  4. R. Akiyama and F. Hirata, J. Chem. Phys. 108, 4904 (1998).

    Article  CAS  Google Scholar 

  5. E. Spohr and K. Heinzinger, Ber Bunsenges. Phys. Chem. 92, 1358 (1988).

    CAS  Google Scholar 

  6. K. Foster, K. Raghavan, and M. Berkowitz, Chem. Phys. Lett. 162, 32 (1989).

    Article  CAS  Google Scholar 

  7. K. Raghavan, K. Foster, and M. Berkowitz, Chem. Phys. Lett. 177, 426 (1991).

    Article  CAS  Google Scholar 

  8. K. Raghavan, K. Foster, K. Motakabbir, and M. Berkowitz, J. Chem. Phys. 94, 2110 (1991).

    Article  CAS  Google Scholar 

  9. S.-B. Zhu and M. R. Philpott, J. Chem. Phys. 100, 6961 (1994).

    CAS  Google Scholar 

  10. S.-B. Zhu, Surf. Sci. 329, 276 (1995).

    Article  CAS  Google Scholar 

  11. W. A. Steele, Surf. Sci. 36, 317 (1973).

    Article  CAS  Google Scholar 

  12. W. A. Steele, The Interaction of Gases with Solid Surfaces, (Pergamon, Oxford, 1974).

    Google Scholar 

  13. A. Kovalenko, O. Pizio, D. Henderson, S. Sokolowski, J. Coll. Interf. Sci. 182, 407 (1996).

    Article  CAS  Google Scholar 

  14. D. Henderson, A. Kovalenko, O. Pizio, S. Sokolowski, Physica A 231, 254 (1996).

    Article  CAS  Google Scholar 

  15. A. Kovalenko, A. Trokhymchuk, O. Pizio, and D. Henderson, Mol. Phys. 89, 1765 (1996).

    Article  CAS  Google Scholar 

  16. D. Beglov and B. Roux, J. Chem. Phys. 103 (1995) 360.

    Article  CAS  Google Scholar 

  17. M. Ikeguchi and J. Doi, J. Chem. Phys. 103 (1995) 5011.

    Article  CAS  Google Scholar 

  18. L. R. Pratt and D. Chandler, J. Chem. Phys. 73 (1980) 3430.

    CAS  Google Scholar 

  19. D. Beglov and B. Roux, J. Chem. Phys. 104 (1996) 8678.

    Article  CAS  Google Scholar 

  20. L. Blum and A. J. Torruella, J. Chem. Phys. 56, 303 (1972).

    CAS  Google Scholar 

  21. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd edn. (Academic, London, 1986).

    Google Scholar 

  22. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys. 85, 5971; 5977 (1986).

    CAS  Google Scholar 

  23. C. M. Cortis, P. J. Rossky, R. A. Friesner, J. Chem. Phys. 107, 6400 (1997).

    Article  CAS  Google Scholar 

  24. D. Beglov and B. Roux, J. Phys. Chem. B 101, 7821 (1997).

    Article  CAS  Google Scholar 

  25. Q. Du, D. Beglov, and B. Roux, J. Phys. Chem. B 104, 796 (2000).

    CAS  Google Scholar 

  26. A. Kovalenko and F. Hirata, Chem. Phys. Lett. 290, 237 (1998).

    Article  CAS  Google Scholar 

  27. A. Kovalenko, S. Ten-no, and F. Hirata, J. Comput. Chem. 20, 928(1999).

    Article  CAS  Google Scholar 

  28. A. Kovalenko and F. Hirata, J. Chem. Phys. 110, 10095 (1999).

    Article  CAS  Google Scholar 

  29. A. Kovalenko and F. Hirata, J. Phys. Chem. B 103, 7942 (1999).

    Article  CAS  Google Scholar 

  30. A. Kovalenko and F. Hirata, J. Chem. Phys. 112, 10391 (2000); 112, 10403 (2000).

    CAS  Google Scholar 

  31. V. Shapovalov, T. N. Truong, A. Kovalenko, and F. Hirata, Chem. Phys. Lett. 320, 186 (2000).

    Article  CAS  Google Scholar 

  32. A. Kovalenko and F. Hirata, J. Chem. Phys. 113, 2793 (2000).

    CAS  Google Scholar 

  33. H. Sato, A. Kovalenko, and F. Hirata, J. Chem. Phys. 112, 9463 (2000).

    CAS  Google Scholar 

  34. A. Kovalenko and T. N. Truong, J. Chem. Phys. 113, 7458 (2000).

    CAS  Google Scholar 

  35. A. Kovalenko, F. Hirata, and M. Kinoshita, J. Chem. Phys. 113, 9830 (2000).

    CAS  Google Scholar 

  36. Y. Harano, T. Imai, A. Kovalenko, M. Kinoshita, and F. Hirata, J. Chem. Phys. 114, 9506 (2001).

    Article  CAS  Google Scholar 

  37. T. Imai, Y. Harano, A. Kovalenko, and F. Hirata, Biopolymers 59, 512 (2000).

    Google Scholar 

  38. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).

    Article  CAS  Google Scholar 

  39. R. Car and M. Parrinello, in: Simple Molecular Systems at Very High Density, edited by A. Polian, P. Lebouyre, and N. Boccara (Plenum Press, New York, 1989), p. 455.

    Google Scholar 

  40. D. L. Price and J. W. Halley, J. Chem. Phys. 102, 6603 (1995).

    Article  CAS  Google Scholar 

  41. J. C. Shelley, G. N. Patey, D. R. Bérard, and G. M. Torrie, J. Chem. Phys. 107, 2122 (1997).

    Article  CAS  Google Scholar 

  42. D. Price and J. W. Halley, J. Electroanal. Chem. 150, 347 (1983)

    Article  CAS  Google Scholar 

  43. J. W. Halley, B. Johnson, D. Price, and M. Schwalm, Phys. Rev. B 31, 7695 (1985).

    CAS  Google Scholar 

  44. J. W. Halley and D. Price, Phys. Rev. B 35, 9095 (1987); 38, 9357 (1988).

    Article  CAS  Google Scholar 

  45. D. R. Bérard, M. Kinoshita, X. Ye, and G. N. Patey, J. Chem. Phys. 101, 6271 (1994).

    Google Scholar 

  46. D. R. Bérard, M. Kinoshita, X. Ye, and G. N. Patey, J. Chem. Phys. 102, 1024 (1995).

    Google Scholar 

  47. D. R. Bérard, M. Kinoshita, N. M. Cann, and G. N. Patey, J. Chem. Phys. 107, 4719 (1997).

    Google Scholar 

  48. P. Gies and R. R. Gerhardts, Phys. Rev. B 33, 982 (1986).

    Article  CAS  Google Scholar 

  49. S. Lundquist and N. H. March, Theory of the Inhomogeneous Electron Gas (Plenum Press, New York, 1983).

    Google Scholar 

  50. D. C. Langreth, Comments Solid State Phys. 8, 129 (1978).

    CAS  Google Scholar 

  51. M. Yamamoto and M. Kinoshita, Chem. Phys. Lett. 274, 513 (1997).

    Article  CAS  Google Scholar 

  52. P. Bopp, G. Jancsó, and K. Heinzinger, Chem. Phys. Lett. 98, 9995 (1993).

    Google Scholar 

  53. T. Ichiye and A. D. J. Haymet, J. Chem. Phys. 89, 4315 (1988).

    Article  CAS  Google Scholar 

  54. M. Vossen and F. Forstmann, J. Chem. Phys. 101, 2379 (1994); Mol. Phys. 86, 1493 (1995).

    Article  CAS  Google Scholar 

  55. A. Krämer, M. Vossen, and F. Forstmann, J. Chem. Phys. 106, 2792 (1997).

    Google Scholar 

  56. R. Lovett, C. Y. Mou, and F. P. Buff, J. Chem. Phys. 65, 570 (1976).

    Article  CAS  Google Scholar 

  57. M. S. Wertheim, J. Chem. Phys. 65, 2377 (1976).

    Article  CAS  Google Scholar 

  58. A. R. Altenberger, J. Chem. Phys. 76, 1473 (1982).

    Article  CAS  Google Scholar 

  59. S. Ten-no, F. Hirata, and S. Kato, Chem. Phys. Lett. 214, 391 (1993); J. Chem. Phys. 100, 7443 (1994).

    Article  CAS  Google Scholar 

  60. H. Sato, F. Hirata, and S. Kato, J. Chem. Phys. 105, 1546 (1996).

    Article  CAS  Google Scholar 

  61. F. Hirata, H. Sato, S. Ten-no, and S. Kato, The RISM-SCF/MCSCF Approach for the Chemical Processes in Solutions, in: Computational Biochemistry and Biophysics, eds. O. M. Becker, A. D. MacKerell, Jr., B. Roux, M. Watanabe (Marcel Dekker Inc., New York, 2001), pp. 417–439.

    Google Scholar 

  62. F. Hirata, Bull. Chem. Soc. Jap. 71, 1483 (1998).

    CAS  Google Scholar 

  63. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (New York, Cambridge University Press, 1986).

    Google Scholar 

  64. F. Hirata and P. J. Rossky, Chem. Phys. Lett. 83, 329 (1981).

    Article  CAS  Google Scholar 

  65. F. Hirata, B. M. Pettit, and P. J. Rossky, J. Chem. Phys. 77, 509 (1982).

    Article  CAS  Google Scholar 

  66. F. Hirata, P. J. Rossky, and B. M. Pettit, J. Chem. Phys. 78, 4133 (1983).

    Article  CAS  Google Scholar 

  67. S.-H. Chong and F. Hirata, J. Phys. Chem. B 101, 3209 (1997).

    Article  CAS  Google Scholar 

  68. Yu. V. Kalyuzhnyi, V. Vlachy, M. F. Holovko, and G. Stell, J. Chem. Phys. 102, 5770 (1995).

    Article  CAS  Google Scholar 

  69. S. M. Foiles, N. W. Ashcroft, and L. Reatto, J. Chem. Phys. 80, 4441 (1984).

    Article  CAS  Google Scholar 

  70. P. D. Poll and N. W. Ashcroft, Phys. Rev. A 32, 1722 (1985); 35, 866 (1987).

    Article  CAS  Google Scholar 

  71. A. H. Harvey, J. Chem. Phys. 95, 479 (1991)

    Article  CAS  Google Scholar 

  72. R. Thiéery, S. N. Lvov, and J. Dubessy, J. Chem. Phys. 109, 214 (1998); and references therein.

    CAS  Google Scholar 

  73. P. G. Ferreira, R. L. Carvalho, M. M. Telo da Gama, and A. G. Schlijper, J. Chem. Phys. 101, 594 (1994).

    Article  CAS  Google Scholar 

  74. L. Lue and D. Blankschtein, J. Chem. Phys. 102, 5427 (1995).

    CAS  Google Scholar 

  75. CRC Handbook of Chemistry and Physics, 81st edn., ed. D. R. Lide (CRC, New York, 2000).

    Google Scholar 

  76. A. Kovalenko and F. Hirata, Chem. Phys. Lett., 349, 496 (2001).

    Article  CAS  Google Scholar 

  77. A. Kovalenko and F. Hirata, J. Theor. and Comput. Chem., 2, (2002), (in press).

    Google Scholar 

  78. K. Yoshida, T. Yamaguchi, A. Kovalenko, and F. Hirata, J. Phys. Chem. B 106 5042 (2002).

    Article  CAS  Google Scholar 

  79. T. Morita and K. Hiroike, Progr. Theor. Phys. 23, 1003 (1960).

    Google Scholar 

  80. S. J. Singer and D. Chandler, Mol. Phys. 55, 621 (1985).

    CAS  Google Scholar 

  81. L. L. Lee, J. Chem. Phys. 110, 7589 (1999).

    CAS  Google Scholar 

  82. D. Chandler, Mol. Phys. 31, 1213 (1976).

    Google Scholar 

  83. P. T. Cummings, C. G. Gray, and D. E. Sullivan, J. Phys. A: Math. Gen. 14, 1483 (1981).

    Article  CAS  Google Scholar 

  84. B. M. Pettit, and P. J. Rossky, J. Chem. Phys. 84, 5836 (1986).

    Google Scholar 

  85. G. Hummer and D. M. Soumpasis, Mol. Phys. 75, 633 (1992).

    CAS  Google Scholar 

  86. L. Lue and D. Blankschtein, J. Phys. Chem. 96, 8582 (1992).

    Article  CAS  Google Scholar 

  87. G. A. Martynov and G. N. Sarkisov, Molec. Phys. 49, 1495 (1984).

    Google Scholar 

  88. P. Ballone, G. Pastore, G. Galli, and D. Gazzillo, Molec. Phys. 59, 275 (1986).

    CAS  Google Scholar 

  89. K. Kojima and K. Arakawa, Bull. Chem. Soc. Jap. 53, 1795 (1980).

    CAS  Google Scholar 

  90. M. Ohba and H. Nomura, Mol. Phys. 70, 729 (1990); 77, 689 (1992).

    CAS  Google Scholar 

  91. Y. Takebayashi, Y. Kimura, M. Ohba, and H. Nomura, J. Chem. Phys. 105, 10084 (1996).

    Article  CAS  Google Scholar 

  92. M. Kinoshita and F. Hirata, J. Chem. Phys. 106, 5202 (1997).

    Article  CAS  Google Scholar 

  93. B. Guillot and Y. Guissani, J. Chem. Phys. 99, 8075 (1993).

    Article  CAS  Google Scholar 

  94. R. A. Pierotti, J. Phys. Chem. 69, 281 (1965).

    CAS  Google Scholar 

  95. W. L. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Soc. 106, 6638 (1984).

    Article  CAS  Google Scholar 

  96. G. Kaminsky, E. M. Duy, T. Matsiu, and W.L. Jorgensen, J. Phys. Chem. 98, 13077 (1994).

    Google Scholar 

  97. M. Kinoshita, Yuko Okamoto, and F. Hirata, J. Chem. Phys. 107, 1586 (1997).

    Article  CAS  Google Scholar 

  98. M. Kinoshita, Yuko Okamoto, and F. Hirata, J. Am. Chem. Soc. 120, 1855 (1998).

    Article  CAS  Google Scholar 

  99. U. H. E. Hansmann and Y. Okamoto, J. Comput. Chem. 14, 1333 (1993).

    Article  CAS  Google Scholar 

  100. W. H. Graham, E. S. Carter II, and R. P. Hickes, Biopolymers 32, 1755 (1992).

    Article  CAS  Google Scholar 

  101. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).

    Google Scholar 

  102. J. S. Høye, G. Stell, J. Chem. Phys. 65, 18 (1976).

    Google Scholar 

  103. D. E. Sullivan, C. G. Gray, Mol. Phys. 443, 42 (1981).

    Google Scholar 

  104. M. Hilczer, M. Tachiya, Chem. Phys. Lett. 295, 337, (1998).

    Article  CAS  Google Scholar 

  105. J. S. Perkyns and B. M. Pettitt, Chem. Phys. Lett. 190, 626 (1992); J. Chem. Phys. 97, 7656 (1992).

    Article  CAS  Google Scholar 

  106. J. S. Høye and G. Stell, J. Chem. Phys. 61, 562 (1974).

    Google Scholar 

  107. J. C. Rasaiah, J. Chem. Phys. 77, 5711 (1982).

    Article  Google Scholar 

  108. P. G. Kusalik and G. N. Patey, J. Chem. Phys. 86, 5110 (1987).

    Article  CAS  Google Scholar 

  109. P. J. Rossky and W. D. T. Dale, J. Chem. Phys. 73, 2457 (1980).

    CAS  Google Scholar 

  110. P. H. Hünenberger and J. A. McCammon, J. Chem. Phys. 110, 1856 (1999).

    Google Scholar 

  111. D. Chandler, J. Chem. Phys. 67, 1113 (1977).

    Article  CAS  Google Scholar 

  112. R. M. Lynden-Bell and J. C. Rasaiah, J. Chem. Phys. 107, 1981 (1997).

    Article  CAS  Google Scholar 

  113. L. X. Dang, J. E. Rice, P. A. Kollman, J. Chem. Phys. 93, 7528 (1990).

    Article  CAS  Google Scholar 

  114. E. Guàrdia, R. Rey, and J. A. Padró, Chem. Phys. 155 187 (1991).

    Google Scholar 

  115. D. E. Smith and L. X. Dang, J. Chem. Phys. 100, 3757 (1994).

    CAS  Google Scholar 

  116. P. Kusalik and G. N. Patey, J. Chem. Phys. 79, 4468 (1983).

    Article  CAS  Google Scholar 

  117. G. L. Friedman, Faraday. Discuss. Chem. Soc. 85, 1 (1988).

    CAS  Google Scholar 

  118. J. E. Enderby and G. W. Neilson, in: Water: A Comprehensive Treatise, edited by F. Franks (Plenum, New York, 1979), Vol 6, p.1; Rep. Prog. Phys. 44, 593 (1981).

    Google Scholar 

  119. L. X. Dang and B. M. Pettitt, J. Chem. Phys. 86, 6560 (1987); J. Am. Chem. Soc. 109, 5531 (1987); J. Phys. Chem. 94, 4303 (1990).

    Article  CAS  Google Scholar 

  120. E. Guàrdia, R. Rey, and J. A. Padró, J. Chem. Phys. 95 2823 (1991).

    Google Scholar 

  121. K. Toukan and A. Rahman, Phys. Rev. B 31, 2643 (1985).

    Article  CAS  Google Scholar 

  122. E. C. Zhong and H. L. Friedman, J. Phys. Chem. 92 1685 (1988).

    Article  CAS  Google Scholar 

  123. J. B. Foresman, C. L. Brooks, J. Chem. Phys. 87 5892 (1987).

    Article  CAS  Google Scholar 

  124. I. Dzidic and P. Kerbale, J. Phys. Chem. 74 1466 (1970).

    Article  CAS  Google Scholar 

  125. M. Arshadi, R. Yamdagni, and P. Kerbale, J. Phys. Chem. 74 1475 (1970).

    CAS  Google Scholar 

  126. L. X. Dang, J. Chem. Phys. 97, 2659 (1992).

    CAS  Google Scholar 

  127. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).

    Article  CAS  Google Scholar 

  128. J. Caldwell, L. X. Dang, and P. A. Kollman, J. Am. Chem. Soc. 112, 9144 (1990).

    Article  CAS  Google Scholar 

  129. H.-A. Yu, B. Roux, and M. Karplus, J. Chem. Phys. 92, 5020 (1990).

    CAS  Google Scholar 

  130. W. J. Jorgensen, J. Am. Chem. Soc. 103, 335 (1981).

    CAS  Google Scholar 

  131. J. Trullàs, A. Giró, and J. A. Padró, J. Chem. Phys. 91, 539 (1989); 93 5177 (1990).

    Google Scholar 

  132. R. Beudert, H. Bertagnolli, and M. Zeller, J. Chem. Phys. 106, 8841 (1997).

    Article  CAS  Google Scholar 

  133. A. H. Stroud, Approximate calculation of multiple integrals, (Prentice-Hall, Inc., Englewod Cliffs, N.J., 1971).

    Google Scholar 

  134. M. Edéen and M. H. Levitt, J. Magn. Reson. 132, 220 (1998).

    CAS  Google Scholar 

  135. F. Garisto, P. G. Kusalik, and G. N. Patey, J. Chem. Phys. 79, 6294 (1983).

    Article  CAS  Google Scholar 

  136. H.-A. Yu and M. Karplus, J. Chem. Phys. 89, 2366 (1988).

    Article  CAS  Google Scholar 

  137. A. Ben-Naim and Y. Marcus, J. Chem. Phys. 81, 2016 (1984).

    Article  CAS  Google Scholar 

  138. P. G. Kusalik and I. M. Svishchev, Science 265, 1219 (1994).

    CAS  Google Scholar 

  139. P. B. Balbuena, K. P. Johnston, and P. J. Rossky, J. Chem. Phys. 100, 2706 (1996).

    CAS  Google Scholar 

  140. J. K. Buckner and W. L. Jorgensen, J. Am. Chem. Soc. 111, 2507 (1989).

    Article  CAS  Google Scholar 

  141. L. X. Dang, Chem. Phys. Lett. 200, 21 (1992); 227, 211 (1994); J. Chem. Phys. 96, 6970 (1992); J. Am. Chem. Soc. 117, 6954 (1995).

    Article  CAS  Google Scholar 

  142. L. X. Dang and B. C. Garrett, J. Chem. Phys. 99, 2972 (1993).

    CAS  Google Scholar 

  143. L. X. Dang and P. A. Kollman, J. Phys. Chem. 99, 55 (1995)

    CAS  Google Scholar 

  144. S. H. Lee and J. C. Rasaiah, J. Chem. Phys. 101, 6964 (1994); J. Phys. Chem. 100, 1420 (1996).

    Google Scholar 

  145. R. M. Lynden-Bell and J. C. Rasaiah, J. Chem. Phys. 105, 9266 (1996).

    Article  CAS  Google Scholar 

  146. P. J. Cummings and G. Stell, Mol. Phys. 44, 529 (1981); 46, 383 (1982).

    CAS  Google Scholar 

  147. P. J. Rossky, B. M. Pettitt, and G. Stell, Mol. Phys. 50, 1263 (1983).

    CAS  Google Scholar 

  148. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).

    Article  CAS  Google Scholar 

  149. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).

    Article  CAS  Google Scholar 

  150. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    Article  CAS  Google Scholar 

  151. G. Barabino, C. Gavotti, and M. Marchesi, Chem. Phys. Lett. 104, 478 (1984).

    Article  CAS  Google Scholar 

  152. E. Spohr, Acta Chem. Scan. 49, 189 (1995).

    Article  CAS  Google Scholar 

  153. D. R. Béerard and G. N. Patey, J. Chem. Phys. 97, 4372 (1992).

    CAS  Google Scholar 

  154. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).

    Article  CAS  Google Scholar 

  155. H. J. C. Berendsen, J. P. M. Postma, W. F. von Gunsteren, and J. Hermans, In Intermolecular Forces, ed. B. Pullman (Reidel, Dordrecht, 1981).

    Google Scholar 

  156. D. E. Peebles and J. M. White, Surf. Sci. 144, 512 (1984).

    Article  CAS  Google Scholar 

  157. C. Nöobl and C. Benndorf, Surf. Sci. 182, 499 (1987).

    CAS  Google Scholar 

  158. K. Bange, T. E. Madey, J. K. Sass, and E. M. Stuve, Surf. Sci. 183, 334 (1987).

    CAS  Google Scholar 

  159. K. Ataka, T. Yotsuyanagi, and M. Osawa, J. Phys. Chem. 100, 10664 (1996).

    Article  CAS  Google Scholar 

  160. K. Heinzinger and E. Spohr, Electrochimica Acta 34, 1849 (1989).

    Article  CAS  Google Scholar 

  161. K. Heinzinger, in: Structure of Electrified Interfaces, edited by J. Lipkowski and P. N. Ross, Frontiers of Electrochemistry, Vol. II (VCH Publishers, New York, 1993), p. 239.

    Google Scholar 

  162. E. Spohr, G. Tóth, and K. Heinzinger, Electrochimica Acta 41, 2131 (1996).

    Article  CAS  Google Scholar 

  163. S. Holloway and K. H. Bennemann, Surf. Sci. 101, 327 (1980).

    Article  CAS  Google Scholar 

  164. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).

    Article  Google Scholar 

  165. K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, Phys. Rev. B 47, 10142 (1993).

    Article  CAS  Google Scholar 

  166. J. Hutter, M. Tuckerman, and M. Parrinello, J. Chem. Phys. 102, 859 (1995).

    Article  CAS  Google Scholar 

  167. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, Macmillan Publishing Co. Inc., 1982.

    Google Scholar 

  168. M. J. Gillan, Mol. Phys., 38, 1781 (1979).

    CAS  Google Scholar 

  169. S. Labik, A. Malijevsky, and P. Vonka, Mol. Phys., 56, 709 (1985).

    CAS  Google Scholar 

  170. M. Kinoshita and M. Harada, Mol. Phys. 74, 443 (1991); 79, 145 (1993); 81, 1473 (1994).

    CAS  Google Scholar 

  171. M. Kinoshita and Béerard, J. Comput. Phys. 124, 230 (1996).

    Article  CAS  Google Scholar 

  172. M. Kinoshita, Y. Okamoto, and F. Hirata, J. Chem. Phys., 107, 1586 (1997).

    Article  CAS  Google Scholar 

  173. P. Pulay, Chem. Phys. Lett., 73, 393 (1980).

    Article  CAS  Google Scholar 

  174. P. Pulay, J. Comput. Chem., 3, 556 (1982).

    Article  CAS  Google Scholar 

  175. T. P. Hamilton and P. Pulay, J. Chem. Phys., 84, 5728 (1986).

    CAS  Google Scholar 

  176. K. Ng, J. Chem. Phys., 61, 2680 (1974).

    CAS  Google Scholar 

  177. S. Maw, H. Sato, S. Ten-no, and F. Hirata, Chem. Phys. Lett., 276, 20 (1997).

    Article  CAS  Google Scholar 

  178. M. Kawata, C. M. Cortis, and R. A. Friesner, J. Chem. Phys., 108, 4426 (1998).

    Article  CAS  Google Scholar 

  179. D. D. Johnson, Phys. Rev. B 38, 12807 (1988).

    Google Scholar 

  180. C. G. Broyden, Math. Comput. 19, 577 (1965).

    Google Scholar 

  181. J. D. Talman, J. Comput. Phys. 29, 35 (1978).

    Article  Google Scholar 

  182. P. J. Rossky, H. L. Friedman, J. Chem. Phys. 72, 5694 (1980).

    CAS  Google Scholar 

  183. Y. Marcus, J. Chem. Soc. Faraday Trans. I 82, 233 (1986); ibid. 83, 339; 2985 (1987).

    CAS  Google Scholar 

  184. H. L. Friedman and C. V. Krishnan, Water: A Comprehensive Treatise, ed. F. Franks (Plenum, New York, 1973), Vol. 3.

    Google Scholar 

  185. A. G. Sharpe, Inorganic Chemistry, 2nd ed. (Longman, London, 1986).

    Google Scholar 

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  1. Andriy Kovalenko

    Present address: National Institute for Nanotechnology, National Research Council of Canada, University of Alberta, W6-025, ECERF Bldg., 9107-116 Str., Edmonton, AB, T6G 2V4, Canada

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  1. Institute for Molecular Science, Okazaki National Research Institutes, Myodaiji, Okazaki, 444-8585, Japan

    Andriy Kovalenko

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  1. Institute for Molecular Science, Okazaki, Japan

    Fumio Hirata

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© 2004 Springer Science + Business Media, Inc.

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Kovalenko, A. (2004). Three-dimensional Rism Theory for Molecular Liquids and Solid-Liquid Interfaces. In: Hirata, F. (eds) Molecular Theory of Solvation. Understanding Chemical Reactivity, vol 24. Springer, Dordrecht. https://doi.org/10.1007/1-4020-2590-4_4

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  • DOI: https://doi.org/10.1007/1-4020-2590-4_4

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-1-4020-1562-5

  • Online ISBN: 978-1-4020-2590-7

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