Solvation energy of nonequilibrium polarization: Old question, new answer

Journal of Theoretical and Computational Chemistry

Volumn 9, Issue SUPPL. 1, 2010, Pages 23-37

  Li, Xiang Yuan ^a   He, Fu Cheng ^a   Fu, Ke Xiang ^a   Liu, Wenjian ^b,c  

^a SICHUAN UNIVERSITY   (China)

^b PEKING UNIVERSITY   (China)

^c PEKING UNIVERSITY   (China)

Author keywords

Constrained equilibrium; Free energy; Nonequilibrium solvation; Solvent reorganization energy

Indexed keywords

EID: 77951571870     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633610005591     Document Type: Article

References (28)

1. Tomasi J, Mennucci B, Cammi R, Chem Rev 105: 2999, 2005.
2. Marcus RA, J Chem Phys 24: 979, 1956.
3. Marcus RA, J Chem Phys 24: 966, 1956.
4. Liu Y, Newton MD, J Phys Chem 98: 7162, 1994.
5. Marcus RA, J Phys Chem 98: 7170, 1994.
6. Miller JR, Calcaterra LT, Closs GL, J Am Chem Soc 106: 3047, 1984.
7. Closs GL, Calcaterra LT, Green NJ, Peneld KW, Miller JR, J Phys Chem 90: 3673, 1986.
8. Johnson MD, Miller JR, Green NS, Closs GL, J Phys Chem 93: 1173, 1989.
9. Paulson BP, Miller JR, Gan W-X, Closs G, J Am Chem Soc 127: 4860, 2005.
10. Newton MD, Basilevsky MV, Rostov IV, Chem Phys 232: 201, 1998.
11. Basilevsky MV, Chudinov GE, Rostov IV, Liu Y, Newton MD, J Mol Struct Theochem 371: 191, 1996.
12. Basilevsky MV, Rostov IV, Newton MD, Chem Phys 232: 189, 1998.
13. Formasinho SJ, Arnaut LG, Fausto R, Prog Reaction Kinetics 23: 1, 1998.
14. Serpa C, Gomes PS, Arnaut LG, de Melo JS, Formosinho SJ, Chem Phys Chem 7: 2533, 2006.
15. Li X-Y, Fu K-X, J Comput Chem 25: 500, 2004.
16. Li X-Y, Fu K-X, Zhu Q, Shan M-H, J Comput Chem 25: 835, 2004.
17. Fu K-X, Li X-Y, Zhu Q, Gong Z, Lu S-Z, Bao Z-M, J Mol Struct Theochem 715: 157, 2005.
18. Li X-Y, Fu K-X, J Theor Comput Chem 4: 907, 2005.
19. Lee S, Hynes JT, J Chem Phys 88: 6853, 1988.
20. Jeon J, Kim HJ, J Phys Chem A 104: 9812, 2000.
21. Aguilar MA, Olivares del Valle FJ, Tomasi J, J Chem Phys 98: 7375, 1993.
22. Kim HJ, Hynes JT, J Chem Phys 93: 5194, 1990.
23. Cossi M, Barone V, J Chem Phys 112: 2427, 2000.
24. Felderhof BU, J Phys C Solid State Phys 12: 3121, 1979.
25. rd ed., John Wiley and Sons New York, 1999.
26. Wang Z-G, J Theor Comput Chem 7: 397, 2008.
27. nd ed., Gittl Publ., Moscow, 1950 (in Russian).
28. Leontovich MA, Introduction to Thermodynamics Statistical Physics, Nauka, Moscow, 1983 (in Russian).