Solvation effect on the interaction between sodium and chloride ions in aqueous solution: An analysis based on the new resonance theory

International Journal of Quantum Chemistry

Volumn 107, Issue 15, 2007, Pages 3132-3136

  Ikeda, Atsushi ^a   Yokogawa, Daisuke ^a   Sato, Hirofumi ^a   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Bond theory; Ion pair; Liquid; Quantum chemistry; Statistical mechanics

Indexed keywords

MOLECULAR STRUCTURE; RESONANCE; SOLVATION; STATISTICAL MECHANICS; WAVE FUNCTIONS;

BOND THEORY; ION PAIR;

QUANTUM CHEMISTRY;

EID: 35349030813     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21473     Document Type: Conference Paper

References (16)

1. Hiberty, P. C.; Leforestier, C. J Am Chem Soc 1978, 100, 2012.
2. Glendening, E. D.; Weinhold, F. J Comput Chem 1998, 19, 593.
3. Karafiloglou, P. J Comput Chem 2001, 22, 306.
4. (a) Ikeda, A.; Nakao, Y.; Sato H.; Sakaki, S. J Phys Chem A 2006, 110, 9028;
5. (b) Ikeda, A.; Yokogawa, D.; Sato H.; Sakaki, S. Chem Phys Lett 2006, 424, 449.
6. Tomasi, J.; Persico, M. Chem Rev 1994, 94, 2027.
7. Ten-No, S.; Hirata, F.; Kato, S. J Chem Phys 1994, 100, 7443.
8. Sato, H.; Hirata, F.; Kato, S. J Chem Phys 1996, 105, 1546.
9. Singer, S. J.; Chandler, D. Mol Phys 1985, 55, 621.
10. Hariharan, P. C.; Pople, J. A. Theor Chim Acta 1973, 28, 213.
11. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. J.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery J. A. J Comput Chem 1993, 14, 1347.
12. (a) Kovalenko, A.; Hirata, F. J Chem Phys 2000, 112, 10391;
13. (b) Kovalenko, A.; Hirata, F. J Chem Phys 2000, 112, 10403.
14. (a) Berkowitz, M.; Karm, O. A.; McCammon, J. A.; Rossky, P. J Chem Phys Lett 1984, 105, 577;
15. (b) Smith, D. E.; Dang, L. X. J Chem Phys 1994, 100, 3757.
16. Lantz, M. A.; Hug, H. J.; Hoffmann, R.; van Schendel, P. J. A.; Kappen-Berger, P.; Martin, S.; Baratoff, A.; Guntherodt, H.-J. Science 2001, 291, 2580.