The solvation reaction field for a hydrogen atom in a dielectric continuum

Journal of Chemical Physics

Volumn 104, Issue 9, 1996, Pages 3276-3289

  Chipman, Daniel M ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000001162     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471017     Document Type: Article

References (25)

1. C. J. Cramer and D. G. Truhlar, in Reviews in Computational Chemistry, edited by D. B. Boyd and K. B. Lipkowitz (VCH, New York, 1995), Vol. 6, p. 1.
2. J. Tomasi and M. Persico, Chem. Rev. 94, 2027 (1994).
3. B. Honig, K. Sharp, and A.-S. Yang, J. Phys. Chem. 97, 1101 (1993).
4. M. E. Davis and J. A. McCammon, Chem. Rev. 90, 509 (1990).
5. J. Jortner and C. A. Coulson, Mol. Phys. 24, 451 (1961).
6. B. R. Johnson and J. O. Hirschfelder, J. Math. Phys. 20, 2484 (1979).
7. S. Wolfram, Mathematics: A System for Doing Mathematics by Computer (Addison-Wesley, Reading, 1993).
8. D. M. Bartels, P. Han, and P. W. Percival, Chem. Phys. 164, 421 (1992).
9. J. S. Tse and M. L. Klein, J. Phys. Chem. 87, 5055 (1983).
10. B. De Raedt, M. Sprik, and M. L. Klein, J. Chem. Phys. 80, 5719 (1984).
11. A. Bondi, J. Phys. Chem. 68, 441 (1964).
12. H. Gai and B. C. Garrett, J. Phys. Chem. 98, 9642 (1994).
13. E. Roduner, P. W. Percival, P. Han, and D. M. Bartels, J. Chem. Phys. 102, 5989 (1995).
14. L. Pauling, The Nature of the Chemical Bond (Cornell University, New York, 1960).
15. W. J. Hehre, L. Radom, J. A. Pople, and P. v. R. Schleyer, Ab Initio Molecular Orbital Theory (\ViIey-Interscience, New York, 1986).
16. This is obtained from Eq. (2) in Jortner and Coulson (Ref. 5) after correction of an apparent typographical error in the sign of their last term.
17. J. D. Jackson, Classical Electrodynamics, 2nd ed. (Wiley, New York, 1975).
18. M. Abramowitz and I. A. Segun, Handbook of Mathematical Functions (Dover, New York, 1968).
19. S. N. Foner, E. L. Cochran, V. A. Bowers, and F. J. Adrian, J. Chem. Phys. 32, 963 (1960).
20. R. W. Fessenden and R. H. Schuler, J. Chem. Phys. 39, 2147 (1963).
21. K. Eiben and R. W. Fessenden, J. Phys. Chem. 75, 1186 (1971).
22. F. J. Adrian, J. Chem. Phys. 32, 972 (1960).
23. J. G. Kirkwood, J. Chem. Phys. 2, 351 (1934).
24. C. J. F. Böttcher, Theory of Electric Polarization (Elsevier, Amsterdam, 1973).
25. K. V. Mikkelsen, Y. Luo, H. Ågren, and P. Jørgensen, J. Chem. Phys. 100, 8240 (1994).