Calculation of electrostatic solvation energies for polycyclic aromatic hydrocarbon mono-cations in acetonitrile

Chemical Physics Letters

Volumn 301, Issue 3-4, 1999, Pages 270-274

  Harada, Makoto ^a   Watanabe, Iwao ^a   Watarai, Hitoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000838026     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00043-3     Document Type: Article

References (35)

1. Born M. Z. Phys. 1:1920;45.
2. Hoijtink G.J., de Boer E., van der Meij P.H., Weijland W.P. Rec. Trav. Chim. Pays-Bas. 75:1956;487.
3. Chavlet O., Jano I., Seances C.R. Acad. Sci. 259:1964;1867.
4. Jano I., Seances C.R. Acad. Sci. 261:1965;103.
5. O. Tapia, in: R. Daudel, A. Pullman, L. Salem, A. Veillard (Eds.), Quantam Theory of Chemical Reactions, vol. II, Reidel, Dordrecht, 1980, p. 25.
6. Constanciel R., Tapia O. Theor. Chim. Acta. 55:1980;77.
7. Edinger S.R., Cortis C., Shenkin P.S., Friesner R.A. J. Phys. Chem. B. 101:1997;1190.
8. Cramer C.J., Truhlar D.G. J. Am. Chem. Soc. 113:1991;8305.
9. Kim Y., Truhlar D.G., Kreevoy M.M. J. Am. Chem. Soc. 113:1991;7837.
10. Tucker S.C., Truhlar D.G. Chem. Phys. Lett. 57:1989;164.
11. Cramer C.J., Truhlar D.G. Chem. Phys. Lett. 198:1992;74.
12. C.J. Cramer, D.G. Truhlar, AMSOL (QCPE program 606).
13. Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P. J. Am. Chem. Soc. 107:1985;3902.
14. D.A. Liotard, E.F. Healy, J.M. Ruiz, M.J.S. Dewar, AMPAC ver.2.1, QCPE Bull. 10 (1990) 123 (QCPE program 506).
15. Bondi A. J. Phys. Chem. 68:1964;441.
16. Ohno K. Theor. Chim. Acta. 2:1964;219.
17. Klopman G. J. Am. Chem. Soc. 86:1964;4550.
18. Stewart J.J.P. J. Comput. Chem. 10:1989;209.
19. J.J.P. Stewart, MOPAC Ver.6.00 (QCPE #455, VAX version), received as Ver.6.01 (JCPE P049) for UNIX-Sun SPARCstation version by Kazuhiro Nishida.
20. R. Parsons, in: A.J. Bard, R. Parsons, J. Jordan (Eds.), Standard Potentials in Aqueous Solution, Dekker, New York, 1985, p. 19.
21. Parker V.D. J. Am. Chem. Soc. 98:1976;98.
22. Howell J.O., Goncalves J.M., Amatore C., Klasinc L., Wightman R.M., Kochi J.K. J. Am. Chem. Soc. 106:1984;3968.
23. Kuroda T., Kano K., Uno B., Konse T. Bull. Chem. Soc. Jpn. 60:1987;3865.
24. Schmidt W. J. Chem. Phys. 66:1977;828.
25. Klasinc L., Kovac B., Schoof S., Guesten H. Croat. Chem. Acta. 51:1978;307.
26. Hush N.S., Cheung A.S., Hilton P.R. J. Electron Spectrosc. Relat. Phenom. 7:1975;385.
27. Clar E., Schmidt W. Tetrahedron. 32:1976;2563.
28. Akiyama I., Li K.C., LeBreton P.R., Fu P.P., Harvey R.G. J. Phys. Chem. 83:1979;2997.
29. Boschi R., Clar E., Schmidt W. J. Chem. Phys. 60:1974;4406.
30. Stein S.E., Golden D.M., Benson S.W. J. Phys. Chem. 81:1977;314.
31. Wang H., Frenklach M. J. Phys. Chem. 97:1993;3867.
32. Herndon W.C., Nowak P.C., Conner D.A., Lin P. J. Am. Chem. Soc. 114:1992;41.
33. Herndon W.C. J. Am. Chem. Soc. 112:1990;4546.
34. G.R. Somayajulu, B.J. Zwolinski, J. Chem. Soc., Faraday Trans. 2 (1974) 1928.
35. Herndon W.C. Isr. J. Chem. 20:1980;270.