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Quantitative Approaches to Solute-Solvent Interactions

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Modern Aspects of Electrochemistry

Part of the book series: Modern Aspects of Electrochemistry ((MAOE,volume 39))

Abstract

The interactions between solutes and solvents are noncovalent in nature (barring the occurrence of chemical reactions), and therefore fall into the same category as those that govern molecular recognition processes, the formation and properties of liquids and solids, physical adsorption, etc. Hydrogen bonding, in its many manifestations, is a particularly prominent and important example.

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References

  1. H. Hellmann, Einfuhrung in die Quantenchemie, Franz Deuticke, Leipzig, 1937.

    Google Scholar 

  2. R. P. Feynman, Phys. Rev. 56 (1939) 340.

    CAS  Google Scholar 

  3. J. O. Hirschfelder, C. F. Curtiss and R. B. Bird, Molecular Theory of Gases and Liquids, Wiley, New York, 1954.

    Google Scholar 

  4. J. O. Hirschfelder and W. J. Meath, Adv. Chem. Phys. 12 (1967) 3.

    CAS  Google Scholar 

  5. G. Chalasinski and M. M. Szczesniak, Chem. Rev. 100 (2000) 4227.

    CAS  Google Scholar 

  6. A. K. Rappe and E. R. Bernstein, J. Phys. Chem A 104 (2000) 6117.

    CAS  Google Scholar 

  7. B. Jeziorski, R. Moszynski and K. Szalewicz, Chem. Rev. 94 (1994) 1887.

    CAS  Google Scholar 

  8. O. Engkvist, P.-O. Astrand and G. Karlstrom, Chem. Rev. 100 (2000) 4087.

    CAS  Google Scholar 

  9. J. Gao, Acc. Chem. Res. 29 (1996) 298.

    CAS  Google Scholar 

  10. P. A. Kollman, Acc. Chem. Res. 29 (1996) 461.

    CAS  Google Scholar 

  11. M. Orozco, C. Alhambra, X. Barril, J. M. Lopez, M. A. Busquets and F. J. Luque, J. Mol. Mod. 2 (1996) 1.

    Google Scholar 

  12. J. Tomasi and M. Persico, Chem. Rev. 94 (1994) 2027.

    CAS  Google Scholar 

  13. C. J. Cramer and D. G. Truhlar, in Quantitative Treatments of Solute/Solvent Interactions, Ed. by P. Politzer and J. S. Murray, Elsevier, Amsterdam, 1994, Ch.2.

    Google Scholar 

  14. J.-L. Rivail and D. Rinaldi, in Computational Chemistry: Reviews of Current Trends, Vol. 1, Ed. by J. Leszczynski, World Scientific, Singapore, 1996, Ch. 4.

    Google Scholar 

  15. J. Tomasi and B. Mennucci, in Encyclopedia of Computational Chemistry, Vol. 4, Ed. by P.von R. Schleyer, Wiley, New York, 1998, pp. 2547–2560.

    Google Scholar 

  16. C. J. Cramer and D. G. Truhlar, Chem. Rev. 99 (1999) 2161.

    CAS  Google Scholar 

  17. M. Born, Z. Physik 1 (1920) 45.

    CAS  Google Scholar 

  18. R. P. Bell, Trans. Faraday Soc. 27 (1931) 797.

    CAS  Google Scholar 

  19. J. G. Kirkwood, J. Chem. Phys. 2 (1934) 351.

    CAS  Google Scholar 

  20. L. Onsager, J. Am. Chem. Soc. 58 (1936) 1486.

    CAS  Google Scholar 

  21. I. Langmuir, Colloid Symp. Monogr. 3 (1925) 48.

    Google Scholar 

  22. F. M. Richards, Annu. Rev. Biophys. Bioeng. 6 (1977) 151.

    CAS  Google Scholar 

  23. P. K. Weiner, R. Langridge, J. M. Blaney, R. Schaefer, P. A. Kollman, Proc. Natl. Acad. Sci. 79 (1982) 3754.

    CAS  Google Scholar 

  24. M. L. Connolly, Science, 221 (1983) 709.

    CAS  Google Scholar 

  25. M. M. Francl, R. F. Hout, Jr. and W. J. Hehre, J. Am. Chem. Soc. 106 (1984) 563.

    CAS  Google Scholar 

  26. R. F. W. Bader, M. T. Carroll, J. R. Cheeseman and C. Chang, J. Am. Chem. Soc. 109 (1987) 7968.

    CAS  Google Scholar 

  27. P. Politzer and D. G. Truhlar (eds.), Chemical Applications of Atomic and Molecular Electrostatic Potentials, Plenum, New York, 1981.

    Google Scholar 

  28. G. Naray-Szabo and G. G. Ferenczy, Chem. Rev. 95 (1995) 829.

    CAS  Google Scholar 

  29. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrezewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dappich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. Petersson, P. Y. Aayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rubuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian 98, Revision A.5 (Gaussian, Inc., Pittsburgh, PA, 1998).

    Google Scholar 

  30. J. S. Murray, Z. Peralta-Inga, P. Politzer, K. Ekanayake and P. LeBreton, Int. J. Quantum Chem. 83 (2001) 245.

    CAS  Google Scholar 

  31. J. S. Murray and P. Politzer, J. Mol. Struct. (Theochem) 425 (1998) 107.

    CAS  Google Scholar 

  32. J. S. Murray and P. Politzer, in Encyclopedia of Computational Chemistry, Vol. 2, Ed. by P. von R. Schleyer, Wiley, New York, 1998, pp. 912–920.

    Google Scholar 

  33. P. Politzer and J. S. Murray, Trends Chem. Phys. 7 (1999) 157.

    CAS  Google Scholar 

  34. P. Politzer and J. S. Murray, Fluid Phase Equil. 185 (2001) 129.

    CAS  Google Scholar 

  35. T. Brinck, J. S. Murray and P. Politzer, Mol. Phys. 76 (1992) 609.

    CAS  Google Scholar 

  36. J. S. Murray, P. Lane and P. Politzer, Mol. Phys. 93 (1998) 187.

    CAS  Google Scholar 

  37. J. S. Murray, T. Brinck, P. Lane, K. Paulsen and P. Politzer, J. Mol. Struct. (Theochem) 307 (1994) 55.

    Google Scholar 

  38. J. S. Murray, T. Brinck, M. E. Grice and P. Politzer, J. Mol. Struct. (Theochem) 256 (1992) 29.

    Google Scholar 

  39. J. Allinger and N. L. Allinger, Tetrahedron 2 (1958) 64.

    CAS  Google Scholar 

  40. J. S. Murray, Z. Peralta-Inga and P. Politzer, Int. J. Quantum Chem. 75 (1999) 267.

    CAS  Google Scholar 

  41. J. S. Murray, Z. Peralta-Inga and P. Politzer, Int. J. Quantum Chem. 80 (2000) 1216.

    CAS  Google Scholar 

  42. P. Politzer and J. S. Murray, in Reviews in Computational Chemistry, Vol. 2, Ed. by K. B. Lipkowitz and D. B.Boyd, VCH, New York, 1991, Ch. 7.

    Google Scholar 

  43. P. Politzer and K. C. Daiker, in The Force Concept in Chemistry, Ed. by B. M. Deb, Van Nostrand Reinhold, New York, 1981, Ch. 6.

    Google Scholar 

  44. J. S. Murray and P. Politzer, J. Chem. Res. S, (1992) 110.

    Google Scholar 

  45. H. Hagelin, J. S. Murray, T. Brinck, M. Berthelot and P. Politzer, Can. J. Chem. 73 (1995) 483.

    CAS  Google Scholar 

  46. J. S. Murray, F. Abu-Awwad and P. Politzer, J. Phys. Chem. A 103 (1999) 1853.

    CAS  Google Scholar 

  47. P. Politzer, J. S. Murray and F. Abu-Awwad, Int. J. Quantum Chem. 76 (2000) 643.

    CAS  Google Scholar 

  48. J. S. Murray, Z. Peralta-Inga, P. Jin and P. Politzer, unpublished work.

    Google Scholar 

  49. C. Hansch, Acc. Chem. Res. 26 (1993) 147.

    CAS  Google Scholar 

  50. T. Brinck, J. S. Murray and P. Politzer, J. Org. Chem. 58 (1993) 7070.

    CAS  Google Scholar 

  51. M. J. Kamlet, R. M. Doherty, M. H. Abraham, Y. Marcus and R. W. Taft, J. Phys. Chem. 92 (1988) 5244.

    CAS  Google Scholar 

  52. G. R. Famini, C. A. Penski and L. Y. Wilson, J. Phys. Org. Chem. 5 (1992) 395.

    CAS  Google Scholar 

  53. J. S. Murray, T. Brinck and P. Politzer, J. Phys. Chem. 97 (1993) 13807.

    CAS  Google Scholar 

  54. J. S. Murray, S. G. Gagarin and P. Politzer, J. Phys. Chem. 99 (1995) 12081.

    CAS  Google Scholar 

  55. P. Politzer, J. S. Murray and S. G. Gagarin, in Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 3, Ed. by K. M. Kadish and R. S. Ruoff, The Electrochemical Society, Pennington, NJ, 1996, pp. 45–52.

    Google Scholar 

  56. P. Politzer, J. S. Murray and P. Flodmark, J. Phys. Chem. 100 (1996) 5538.

    CAS  Google Scholar 

  57. P. Politzer, P. Lane, J. S. Murray and T. Brinck, J. Phys. Chem. 96 (1992) 7938.

    CAS  Google Scholar 

  58. J. S. Murray, P. Lane, T. Brinck and P. Politzer, J. Phys. Chem. 97 (1993) 5144.

    CAS  Google Scholar 

  59. P. Politzer, J. S. Murray, P. Lane and T. Brinck, J. Phys. Chem. 97 (1993) 729.

    CAS  Google Scholar 

  60. P. Politzer, J. S. Murray, M. C. Concha and T. Brinck, J. Mol. Struct. (Theochem) 281 (1993) 107.

    Google Scholar 

  61. M. R. Gholami and B. A. Talebi, J. Phys. Org. Chem. 16 (2003) 369.

    CAS  Google Scholar 

  62. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids, Clarendon Press, Oxford, 1987.

    Google Scholar 

  63. J. M. Haile, Molecular Dynamics Simulations, Wiley, New York, 1992.

    Google Scholar 

  64. W. L. Jorgensen, in Encyclopedia of Computational Chemistry, Vol. 3, Ed. by P. von R. Schleyer, Wiley, 1998, pp. 1754–1763.

    Google Scholar 

  65. J. R. Maple, in Encyclopedia of Computational Chemistry, Vol. 2, Ed. by P. von R. Schleyer, Wiley, 1998, pp. 1015–1024.

    Google Scholar 

  66. P. E. Smith and B. M. Pettitt, J. Phys. Chem. 98 (1994) 9700.

    CAS  Google Scholar 

  67. P. Politzer and S. Boyd, Struct. Chem. 13 (2002) 105.

    CAS  Google Scholar 

  68. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. J. P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.

    CAS  Google Scholar 

  69. J. J. P. Stewart, J. Comput. Chem. 10 (1989) 209, 221.

    CAS  Google Scholar 

  70. J. Aqvist and A. Warshel, Chem. Rev. 93 (1993) 2523.

    Google Scholar 

  71. W. J. Hehre, L. Radom, P. von R. Schleyer and J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.

    Google Scholar 

  72. W. F. van Gunsteren, in Computer Simulation of Biomolecular Systems, Ed. by W. F. van Gunsteren and P. K. Weiner, ESCOM, Leiden (The Netherlands), 1989, pp. 27–59.

    Google Scholar 

  73. P. A. Kollman and K. M. Merz, Jr., Acc. Chem. Res. 23 (1990) 246.

    CAS  Google Scholar 

  74. W. L. Jorgensen, in Encyclopedia of Computational Chemistry, Vol. 2, Ed. by P. von R.Schleyer, Wiley, 1998, pp. 1061–1070.

    Google Scholar 

  75. P.-Y. Morgantini and P. A. Kollman, J. Am. Chem. Soc. 117 (1995) 6057.

    CAS  Google Scholar 

  76. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell and P. A. Kollman, J. Am. Chem. Soc. 117 (1995) 5179.

    CAS  Google Scholar 

  77. W. L. Jorgensen and J. M. Briggs, J. Am. Chem. Soc. 111 (1989) 4190.

    CAS  Google Scholar 

  78. P. Cieplak, P. Bash, S. C. Singh and P. A. Kollman, J. Am. Chem. Soc. 109 (1987) 6283.

    CAS  Google Scholar 

  79. E. C. Meng, J. W. Caldwell and P. A. Kollman, J. Phys. Chem. 100 (1996) 2367.

    CAS  Google Scholar 

  80. H. A. Carlson, T. B. Nguyen, M. Orozco and W. L. Jorgensen, J. Comput. Chem. 14 (1993) 1240.

    CAS  Google Scholar 

  81. R. S. Mulliken, J. Chem. Phys. 23 (1955) 1833.

    CAS  Google Scholar 

  82. W. L. Jorgensen, Acc. Chem. Res. 22 (1989) 184.

    CAS  Google Scholar 

  83. C. A. Reynolds, J. Am. Chem. Soc. 112 (1990) 7545.

    CAS  Google Scholar 

  84. J. Gao and X. Xia, Science 258 (1992) 631.

    CAS  Google Scholar 

  85. J. Gao, F. J. Luque and M. Orozco, J. Chem. Phys. 98 (1993) 2975.

    CAS  Google Scholar 

  86. T. J. Marrone, D. S. Hartsough and K. M. Merz, Jr., J. Phys. Chem. 98 (1994) 1341.

    CAS  Google Scholar 

  87. W. R. Smythe, Static and Dynamic Electricity, McGraw-Hill, New York, 1950.

    Google Scholar 

  88. A. A. Rashin and B. Honig, J. Phys. Chem. 89 (1985) 5588.

    CAS  Google Scholar 

  89. Chemical & Engineering News, Nov. 17 (2003) 70.

    Google Scholar 

  90. S. Glassstone, Text-book of Physical Chemistry, Van Nostrand, New York, 1940.

    Google Scholar 

  91. T. G. Scholte, Physica 15 (1949) 437.

    CAS  Google Scholar 

  92. A. D. Buckingham, Trans. Faraday Soc. 49 (1953) 881.

    CAS  Google Scholar 

  93. F. H. Westheimer and J. G. Kirkwood, J. Chem. Phys. 6 (1938) 513.

    CAS  Google Scholar 

  94. M. J. Huron and P. Claverie, J. Phys. Chem. 76 (1972) 2123; 78 (1974) 1853, 1862.

    CAS  Google Scholar 

  95. V. Barone, M. Cossi and J. Tomasi, J. Chem. Phys. 107 (1997) 3210.

    CAS  Google Scholar 

  96. J.-L. Rivail and B. Terryn, J. Chim. Phys. Physicochim. Biol. 79 (1982) 1.

    CAS  Google Scholar 

  97. D. Rinaldi, Comput. & Chem. 6 (1982) 155.

    CAS  Google Scholar 

  98. J. Tomasi, R. Bonaccorsi, R. Cammi and F. J. Olivares del Valle, J. Mol. Struct. (Theochem) 234 (1991) 401.

    Google Scholar 

  99. G. J. Hoijting, E. de Boer, P. H. van der Meij and W. P. Weijland, Rec. Trav. Chim. Pays-Bas 75 (1956) 487.

    Google Scholar 

  100. O. Chalvet and I. Jano, Compt. Rend. Seances Acad. Sci. 259 (1964) 1867.

    CAS  Google Scholar 

  101. W. C. Still, A. Tempczyk, R. C. Hawley and T. Hendrickson, J. Am. Chem. Soc. 112 (1990) 6127.

    CAS  Google Scholar 

  102. W. L. Jorgensen and J. Tirado-Rives, J. Am. Chem. Soc. 110 (1988) 1657.

    CAS  Google Scholar 

  103. S. Miertus and J. Tomasi, Chem. Phys. 65 (1982) 239.

    CAS  Google Scholar 

  104. A. A. Rashin and K. Namboodiri, J. Phys. Chem. 91 (1987) 6003.

    CAS  Google Scholar 

  105. F. J. Luque, J. M. Bofill and M. Orozco, J. Chem. Phys. 103 (1995) 10183. See also J. G. Angyan, J Chem. Phys. 107 1291 (1997) 1291 and F. J. Luque, J. M. Bofill and M. Orozco, J. Chem. Phys. 107 (1997) 1293.

    CAS  Google Scholar 

  106. I. N. Levine, Quantum Chemistry, 5th ed., Prentice Hall, Upper Saddle River, NJ, 2000.

    Google Scholar 

  107. C. Curutchet, C. J. Cramer, D. G. Truhlar, M. F. Ruiz-Lopez, D. Rinaldi, M. Orozco and F. J. Luque, J. Comput. Chem. 24 (2003) 284.

    CAS  Google Scholar 

  108. D. Rinaldi and J.-L. Rivail, Theor. Chim. Acta 32 (1973) 57.

    CAS  Google Scholar 

  109. J.-L. Rivail and D. Rinaldi, Chem. Phys. 18 (1976) 233.

    CAS  Google Scholar 

  110. D. Rinaldi, M. F. Ruiz-Lopez and J.-L. Rivail, J. Chem. Phys. 78 (1983) 834.

    CAS  Google Scholar 

  111. V. Dillet, D. Rinaldi and J.-L. Rivail, J. Phys. Chem. 98 (1994) 5034.

    CAS  Google Scholar 

  112. V. Dillet, D. Rinaldi, J. Bertran and J.-L. Rivail, J. Chem. Phys. 104 (1996) 9437.

    CAS  Google Scholar 

  113. O. Tapia, in Quantum Theory of Chemical Reactions, Vol. II, Ed. by R. Daudel, A. Pullman, L.Salem and A. Veillard, Reidel, Dordrecht, 1981, p. 25.

    Google Scholar 

  114. R. Constanciel and R. Contreras, Theor. Chim. Acta 65 (1984) 1.

    CAS  Google Scholar 

  115. T. Kozaki, K. Morihashi and O. Kikuchi, J. Mol. Struct. 168 (1988) 265.

    Google Scholar 

  116. J. W. Storer, D. J. Giesen, C. J. Cramer and D. G. Truhlar, J. Comput.-Aided Mol. Design 9 (1995) 87.

    CAS  Google Scholar 

  117. S. Miertus, E. Scrocco and J. Tomasi, Chem. Phys. 55 (1981) 117.

    CAS  Google Scholar 

  118. R. Montagnani and J. Tomasi, J. Mol. Struct. (Theochem) 279 (1993) 131.

    Google Scholar 

  119. D. R. Lide (ed.), Handbook of Chemistry and Physics, 78th ed., CRC Press, New. York, 1997.

    Google Scholar 

  120. H. H. Uhlig, J. Phys. Chem. 41 (1937) 1215.

    CAS  Google Scholar 

  121. R. B. Hermann, J. Phys. Chem. 76 (1972) 2754.

    CAS  Google Scholar 

  122. D. Sitkoff, K. A. Sharp and B. Honig, J. Phys. Chem. 98 (1994) 1978.

    CAS  Google Scholar 

  123. C. J. Cramer and D. G. Truhlar, J. Am. Chem. Soc. 113 (1991) 8305.

    CAS  Google Scholar 

  124. I. Tunon, M. F. Ruiz-Lopez, D. Rinaldi and J. Bertran, J. Comput. Chem. 17 (1996) 148.

    CAS  Google Scholar 

  125. M. Orozco, W. L. Jorgensen and F. J. Luque, J. Comput. Chem. 14 (1993) 1498.

    CAS  Google Scholar 

  126. V. Gogonea and E. Osawa, J. Mol. Struct. (Theochem) 311 (1994) 305.

    Google Scholar 

  127. M. Zacharias, J. Phys. Chem. A 107 (2003) 3000.

    CAS  Google Scholar 

  128. R. A. Pierotti, Chem. Rev. 76 (1976) 717; P. Claverie, Perspect. Quantum Chem. Biochem. 2 (1978) 69.

    CAS  Google Scholar 

  129. F. M. Floris and J. Tomasi, J. Comput. Chem. 10 (1989) 616.

    CAS  Google Scholar 

  130. F. M. Floris, A. Tani and J. Tomasi, Chem. Phys. 169 (1993) 11.

    CAS  Google Scholar 

  131. G. D. Hawkins, C. J. Cramer and D. G. Truhlar, J. Phys. Chem. B 102 (1998) 3257.

    CAS  Google Scholar 

  132. M.-H. Baik and R. A. Friesner, J. Phys. Chem. A 106 (2002) 7407.

    CAS  Google Scholar 

  133. G. A. A. Saracino, R. Improta and V. Barone, Chem. Phys. Lett. 373 (2003) 411.

    CAS  Google Scholar 

  134. D. F. Green and B. Tidor, J. Phys. Chem. B 107 (2003) 10261.

    CAS  Google Scholar 

  135. K. N. Rankin, T. Sulea and E. O. Purisima, J. Comput. Chem. 24 (2003) 954.

    CAS  Google Scholar 

  136. E. Sanchez Marcos, B. Terryn and J.-L. Rivail, J. Phys. Chem. 89 (1985) 4695.

    CAS  Google Scholar 

  137. J. Zeng, J. S. Cram, N. S. Hush and J. R. Reimers, Chem. Phys. Lett. 206 (1993) 323.

    CAS  Google Scholar 

  138. E. Sanchez Marcos, R. R. Pappalardo and D. Rinaldi, J. Phys. Chem. 95 (1991) 8928.

    CAS  Google Scholar 

  139. F. M. Floris, M. Persico, A. Tani and J. Tomasi, Chem. Phys. 195 (1995) 207.

    CAS  Google Scholar 

  140. C. Aleman and S. E. Galembeck, Chem. Phys. 232 (1998) 151.

    CAS  Google Scholar 

  141. M. Brauer, M. Mosquera, J. L. Perez-Lustres and F. Rodriguez-Prieto, J. Phys. Chem. A 102 (1998) 10736.

    Google Scholar 

  142. C. Aleman, Chem. Phys. Lett. 302 (1999) 461.

    CAS  Google Scholar 

  143. I. V. Leontyev, M. V. Vener, I. V. Rostov, M. V. Basilevsky and M. D. Newton, J. Chem. Phys. 119 (2003) 8024.

    CAS  Google Scholar 

  144. M. V. Vener, I. V. Leontyev and M. V. Basilevsky, J. Chem. Phys. 119 (2003) 8038.

    CAS  Google Scholar 

  145. P. F. B. Goncalves and H. Stassen, J. Comput. Chem. 23 (2002) 706; 24 (2003) 1758.

    CAS  Google Scholar 

  146. A. Warshel and M. Levitt, J. Mol. Biol. 103 (1976) 227.

    CAS  Google Scholar 

  147. A. Warshel and S. T. Russell, Quantum Rev. Biophys. 17 (1984) 285.

    Google Scholar 

  148. A. Warshel and Z. T. Chu, in Structure and Reactivity in Aqueous Solution. Characterization of Chemical and Biological Systems, Ed. by C. J. Cramer and D. G. Truhlar, ACS Symposium Series 568, American Chemical Society, Washington, DC, 1994, pp. 71–94.

    Google Scholar 

  149. P. Langevin, Compt. Rend. Acad. Sci. Paris 146 (1908) 530.

    CAS  Google Scholar 

  150. J. Warwicker and H. C. Watson, J. Mol. Biol. 157 (1982) 671.

    CAS  Google Scholar 

  151. D. T. Edmonds, N. K. Rogers and M. J. E. Sternberg, Mol. Phys. 52 (1984) 1487.

    CAS  Google Scholar 

  152. M. K. Gilson, K. A. Sharp and B. H. Honig, J. Comput. Chem. 9 (1988) 327.

    CAS  Google Scholar 

  153. M. E. Davis and J. A. McCammon, J. Comput. Chem. 10 (1989) 387; 12 (1991) 909.

    Google Scholar 

  154. W. H. Orttung, J. Am. Chem. Soc. 100 (1978) 4369.

    CAS  Google Scholar 

  155. R. Luo, J. Moult and M. K. Gilson, J. Phys. Chem. B 101 (1997) 11226.

    CAS  Google Scholar 

  156. S. A. Hassan, F. Guarnieri and E. L. Mehler, J. Phys. Chem. B 104 (2000) 6478, 6490.

    CAS  Google Scholar 

  157. A. Jean-Charles, A. Nicholls, K. Sharp, B. Honig, A. Tempczyk, T. F. Hendrickson and W. C. Still, J. Am. Chem. Soc. 113 (1991) 1454.

    CAS  Google Scholar 

  158. R. D. Coalson and T. L. Beck, in Encyclopedia of Computational Chemistry, Vol. 3, Ed. by P. von R. Schleyer, Wiley, New York, 1998, pp. 2086–2100.

    Google Scholar 

  159. B. Honig, K. Sharp and A.-S. Yang, J. Phys. Chem. 97 (1993) 1101.

    CAS  Google Scholar 

  160. N. G. J. Richards, in Molecular Orbital Calculations for Biological Systems, Ed. by A.-M. Sapse, Oxford University Press, New York, 1998, Ch. 2.

    Google Scholar 

  161. D. Bashford, in Encyclopedia of Computational Chemistry, Vol. 3, Ed. by P. von R. Schleyer, Wiley, New York, 1998, pp. 1542–1548.

    Google Scholar 

  162. B. E. Conway and J. O'M. Bockris, in Modern Aspects of Electrochemistry, vol. 1, Ed. by J. O'M. Bockris, Butterworths, London, 1954, Ch. 2.

    Google Scholar 

  163. J. I. Padova, in Modern Aspects of Electrochemistry, Vol. 7, Ed. by B. E. Conway and J. O'M. Bockris, Plenum Press, New York, 1972, Ch. 1.

    Google Scholar 

  164. J. D. Bernai and R. H. Fowler, J. Chem. Phys. 1 (1933) 515.

    Google Scholar 

  165. W. M. Latimer, K. S. Pitzer and C. M. Slansky, J. Chem. Phys. 7 (1939) 108.

    CAS  Google Scholar 

  166. E. J. W. Verwey, Rec. Trav. Chim. 61 (1942) 127, 564.

    CAS  Google Scholar 

  167. K. P. Mischenko, Acta Physicochim. URSS 3 (1935) 693.

    Google Scholar 

  168. D. R. Rosseinsky, Chem. Rev. 65 (1965) 467.

    CAS  Google Scholar 

  169. J. Burgess, Metal Ions in Solution, Ellis Horwood, Chichester, UK, 1978.

    Google Scholar 

  170. R. G. Pearson, J. Am Chem. Soc. 108 (1986) 6109.

    CAS  Google Scholar 

  171. J. Florian and A. Warshel, J. Phys. Chem. B 101 (1997) 5583.

    CAS  Google Scholar 

  172. M. Mezei and D. L. Beveridge, J. Chem. Phys. 74 (1981) 6902.

    CAS  Google Scholar 

  173. J. Chandrasekhar, D. C. Spellmeyer and W. L. Jorgensen, J. Am. Chem. Soc. 106 (1984) 903.

    CAS  Google Scholar 

  174. T. P. Straatsma and H. J. C. Berendsen, J. Chem. Phys. 89 (1988) 5876.

    CAS  Google Scholar 

  175. B. Jayaram, R. Fine, K. Sharp and B. Honig, J. Phys. Chem. 93 (1989) 4320.

    CAS  Google Scholar 

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

    CAS  Google Scholar 

  177. J. O'M. Bockris and A. K. N. Reddy, Modern Electrochemistry, Vol. 1, Plenum Press, New York, 1970, Ch. 2.

    Google Scholar 

  178. Y. Marcus, Ion Salvation, Wiley, Chichester, UK, 1985.

    Google Scholar 

  179. W. L. Jorgensen, J. F. Blake and J. K. Buckner, Chem. Phys. 129 (1989) 193.

    CAS  Google Scholar 

  180. R. M. Noyes, J. Am. Chem. Soc. 84 (1962) 513.

    CAS  Google Scholar 

  181. F. Floris, M. Persico, A. Tani and J. Tomasi, Chem. Phys. Lett. 199 (1992) 518.

    CAS  Google Scholar 

  182. F. Floris, M. Persico, A. Tani and J. Tomasi, Chem. Phys. Lett. 227 (1994) 126.

    CAS  Google Scholar 

  183. E. Sanchez Marcos, R. R. Pappalardo and D. Rinaldi, J. Phys. Chem. 95 (1991) 8928.

    CAS  Google Scholar 

  184. M. J. Kamlet and R. W. Taft, J. Am. Chem. Soc. 98 (1976) 377.

    CAS  Google Scholar 

  185. R. W. Taft and M. J. Kamlet, J. Am. Chem. Soc. 98 (1976) 2886.

    CAS  Google Scholar 

  186. M. J. Kamlet, J.-L. M. Abboud and R. W. Taft, J. Am. Chem. Soc. 99 (1977) 6027.

    CAS  Google Scholar 

  187. J.-L. M. Abboud, M. J. Kamlet and R. W. Taft, J. Am. Chem. Soc. 99 (1977) 8325.

    CAS  Google Scholar 

  188. M. J. Kamlet, J.-L. M. Abboud, M. H. Abraham and R. W. Taft, J. Org. Chem. 48 (1983) 2877.

    CAS  Google Scholar 

  189. A. F. M. Barton, Chem. Rev. 75 (1975) 731.

    CAS  Google Scholar 

  190. M. J. Kamlet, R. M. Doherty, G. R. Famini and R. W. Taft, Acta Chem. Scand B 41 (1987) 589.

    Google Scholar 

  191. M. J. Kamlet, J.-L. M. Abboud and R. W. Taft, Prog. Phys. Org. Chem. 13 (1981)485.

    CAS  Google Scholar 

  192. M. J. Kamlet, T. N. Hall, J. Boykin and R. W. Taft, J. Org. Chem. 44 (1979) 2599.

    CAS  Google Scholar 

  193. M. H. Abraham, M. J. Kamlet and R. W. Taft, J. Chem. Soc., Perkin Trans. II,(1982) 923.

    Google Scholar 

  194. M. H. Abraham, P. P. Duce, P. L. Grellier, D. V. Prior, J. J. Morris and P. J. Taylor, Tetrahedron Lett. 29 (1988) 1587.

    CAS  Google Scholar 

  195. M. H. Abraham, P. L. Grellier, D. V. Prior, J. J. Morris, P. J. Taylor, C. Laurence and M. Berthelot, Tetrahedron Lett. 30 (1989) 2571.

    CAS  Google Scholar 

  196. M. H. Abraham, P. L. Grellier, D. V. Prior, P. P. Duce, J. J. Morris and P. J. Taylor, J. Chem. Soc., Perkin Trans. II, (1989) 699.

    Google Scholar 

  197. M. H. Abraham, P. L. Grellier, D. V. Prior, J. J. Morris and P. J. Taylor, J. Chem. Soc. Perkin Trans. II, 521 (1990).

    Google Scholar 

  198. M. H. Abraham, G. S. Whiting, R. M. Doherty and W. J. Shuely, J. Chem. Soc., Perkin Trans. II, 1451 (1990).

    Google Scholar 

  199. R. W. Taft and J. S. Murray, in Quantitative Treatments of Solute/Solvent Interactions, Ed. by P. Politzer and J. S. Murray, Elsevier, Amsterdam, 1994, Ch. 3.

    Google Scholar 

  200. M. H. Abraham, in Quantitative Treatments of Solute/Solvent Interactions, Ed. by P. Politzer and J. S. Murray, Elsevier, Amsterdam, 1994, Ch. 4.

    Google Scholar 

  201. M. H. Abraham, G. S. Whiting, R. Fuchs and E. J. Chambers, J. Chem. Soc. Perkin Trans. II, (1990) 291.

    Google Scholar 

  202. J. C. McGowan, J. Appl. Chem. Biotechnol. 28, 599 (1978); 34A (1984) 38.

    CAS  Google Scholar 

  203. M. H. Abraham and J. C. McGowan, Chromatographia 23 (1987) 243.

    CAS  Google Scholar 

  204. M. J. Kamlet, M. H. Abraham, R. M. Doherty and R. W. Taft, J. Am. Chem. Soc. 106 (1984) 464.

    CAS  Google Scholar 

  205. M. H. Abraham and G. S. Whiting, J. Chromatogr. 594 (1992) 229.

    CAS  Google Scholar 

  206. J. P. Hickey and D. R. Passino-Reader, Environ. Sci. Technol. 25 (1991) 1753.

    CAS  Google Scholar 

  207. G. R. Famini and L. Y. Wilson, in Quantitative Treatments of Solute/Solvent Interactions, Ed. by P. Politzer and J. S. Murray, Elsevier, Amsterdam, 1994,Ch. 7.

    Google Scholar 

  208. J. S. Murray, P. Politzer and G. R. Famini, J. Mol. Struct. (Theochem) 454 (1998) 299.

    CAS  Google Scholar 

  209. C. J. Cramer, G. R. Famini and A. H. Lowrey, Acc. Chem. Res. 26 (1993) 599.

    CAS  Google Scholar 

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  1. Department of Chemistry, University of New Orleans, 70148, New Orleans, LA

    Peter Politzer & Jane S. Murray

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  1. University of Patras, Patras, Greece

    C. G. Vayenas

  2. University of South Carolina, Columbia, South Carolina

    Ralph E. White

  3. Superior, Colorado

    Maria E. Gamboa-Adelco

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Politzer, P., Murray, J.S. (2006). Quantitative Approaches to Solute-Solvent Interactions. In: Vayenas, C., White, R.E., Gamboa-Adelco, M.E. (eds) Modern Aspects of Electrochemistry. Modern Aspects of Electrochemistry, vol 39. Springer, Boston, MA. https://doi.org/10.1007/978-0-387-31701-4_1

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