Universal reaction field model based on ab initio Hartree-Fock theory

Chemical Physics Letters

Volumn 288, Issue 2-4, 1998, Pages 293-298

  Li, Jiabo ^a   Hawkins, Gregory D ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032557286     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00194-8     Document Type: Article

References (36)

1. Tomasi J., Persico M. Chem. Rev. 94:1994;2027.
2. Cramer C.J., Truhlar D.G. Rev. Comp. Chem. 6:1995;1.
3. J.-L. Rivail, D. Rinaldi, Computational chemistry, in: J. Leszczynski (Ed.), Review of Current Trends, Vol. 1 (World Scientific, Singapore, 1996) pp. 139-174.
4. Cramer C.J., Truhlar D.G. J. Am. Chem. Soc. 113:1991;8305.
5. Cramer C.J., Truhlar D.G. J. Am. Chem. Soc. 113:1991;9901E.
6. Cramer C.J., Truhlar D.G. Science. 256:1992;213.
7. Cramer C.J., Truhlar D.G. J. Comput. Chem. 13:1992;1089.
8. Cramer C.J., Truhlar D.G. J. Comput.-Aided Mol. Des. 6:1992;629.
9. Liotard D.A., Hawkins G.D., Lynch G.C., Cramer C.J., Truhlar D.G. J. Comput. Chem. 16:1995;422.
10. Giesen D.J., Storer J.W., Cramer C.J., Truhlar D.G. J. Am. Chem. Soc. 117:1995;1057.
11. Giesen D.J., Cramer C.J., Truhlar D.G. J. Phys. Chem. 99:1995;7137.
12. Chambers C.C., Hawkins G.D., Cramer C.J., Truhlar D.G. J. Phys. Chem. 100:1996;16385.
13. Giesen D.J., Hawkins G.D., Liotard D.A., Cramer C.J., Truhlar D.G. Theor. Chem. Acc. 98:1997;85.
14. T. Zhu, J. Li, G.D. Hawkins, C.J. Cramer, D.G. Truhlar, manuscript to be published.
15. G.D. Hawkins, C.J. Cramer, D.G. Truhlar, J. Phys. Chem. B, manuscript to be published.
16. Hawkins G.D., Cramer C.J., Truhlar D.G. J. Phys. Chem. B. 101:1997;7147.
17. Storer J.W., Giesen D.J., Cramer C.J., Truhlar D.G. J. Comput.-Aided Mol. Des. 9:1995;87.
18. J. Li, T. Zhu, C.J. Cramer, D.G. Truhlar, J. Phys. Chem. A., in press.
19. Dewar M.J.S., Thiel W. J. Am. Chem. Soc. 99:1977;4899.
20. Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P. J. Am. Chem. Soc. 107:1985;3902.
21. Stewart J.J.P. J. Comp. Chem. 10:1989;207.
22. Thiel W., Voityuk A.A. Theor. Chim. Acta. 93:1996;315.
23. Ziegler T. Chem. Rev. 91:1991;651.
24. Roothaan C.C.J. Rev. Mod. Phys. 23:1951;69.
25. Bartlett R.J., Stanton J.F. Rev. Comp. Chem. 5:1991;65.
26. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
27. Easton R.E., Giesen D.J., Welch A., Cramer C.J., Truhlar D.G. Theoret. Chim. Acta. 93:1996;281.
28. J. Li, C.J. Cramer, D.G. Truhlar, Theor. Chem. Acc., in press.
29. Kikuchi O., Matsuoka T., Sawahata H., Takahashi O. J. Mol. Struct. 305:1994;79.
30. Takahashi O., Sawahata H., Ogama Y., Kikuchi O. J. Mol. Struct. (Theochem.). 393:1997;141.
31. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94 (Gaussian, Pittsburgh, PA, 1995).
32. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., Montgomery J.A. J. Comput. Chem. 14:1993;347.
33. Löwdin P.-O. J. Chem. Phys. 18:1950;365.
34. Mayer I. Chem. Phys. Lett. 97:1983;270.
35. Rivail J.L. C.R. Acad. Sci. Paris. 307:1990;311.
36. Angyan J.G. Chem. Phys. Lett. 241:1995;51.