Thermodynamic cycles and the calculation of pKa

Chemical Physics Letters

Volumn 367, Issue 1-2, 2003, Pages 145-149

  Pliego Jr , Josefredo R ^a  

^a FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037413311     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01686-X     Document Type: Article

References (23)

1. M.D. Liptak, G.C. Shields, Int. J. Quantum Chem. 85 (2001) 727.
2. M.D. Liptak, G.C. Shields, J. Am. Chem. Soc. 123 (2001) 7314.
3. Y.H. Jang, L.C. Sowers, T. Cagin, W.A. Goddard III, J. Phys. Chem. A 105 (2001) 274.
4. W.A. Shapley, G.B. Bacskay, G.G. Warr, J. Phys. Chem. B 102 (1998) 1938.
5. I.A. Topol, G.J. Tawa, S.K. Burt, A.A. Rashin, J. Phys. Chem. A 101 (1997) 10075.
6. W.H. Richardson, C. Peng, D. Bashford, L. Noodleman, D.A. Case, Int. J. Quantum Chem. 61 (1997) 207.
7. B. Kallies, R. Mitzner, J. Phys. Chem. B 101 (1997) 2959.
8. M. Kawata, S. Ten-no, S. Kato, F. Hirata, Chem. Phys. Lett. 240 (1995) 199.
9. I. Tunon, E. Silla, J. Pascual-Ahuir, J. Am. Chem. Soc. 115 (1993) 2226.
10. I. Tunon, E. Silla, J. Tomasi, J. Phys. Chem. 96 (1992) 9043.
11. C. Lim, D. Bashford, M. Karplus, J. Phys. Chem. 95 (1991) 5610.
12. J.R. Pliego Jr., J.M. Riveros, Chem. Phys. Lett. 332 (2000) 597.
13. M.D. Tissandier, K.A. Cowen, W.Y. Feng, E. Gundlach, M.H. Cohen, A.D. Earhart, J.V. Coe, T.R. Tuttle, J. Phys. Chem. A 102 (1998) 7787.
14. G. Schuurmann, M. Cossi, V. Barone, J. Tomasi, J. Phys. Chem. A 102 (1998) 6706.
15. C.O. da Silva, E.C. da Silva, M.A.C. Nascimento, J. Phys. Chem. A 104 (2000) 2402.
16. C.O. da Silva, E.C. da Silva, M.A.C. Nascimento, J. Phys. Chem. A 103 (1999) 11194.
17. A. Ben-Naim, J. Phys. Chem. 82 (1978) 792.
18. A. Ben-Naim, Solvation Thermodynamics, Plenum Press, New York, 1987.
19. J.R. Pliego Jr., J.M. Riveros, Phys. Chem. Chem. Phys. 4 (2002) 1622.
20. V. Barone, M. Cossi, J. Tomasi, J. Chem. Phys. 107 (1997) 3210.
21. V. Barone, M. Cossi, J. Phys. Chem. A 102 (1998) 1995.
22. J.R. Pliego Jr., J.M. Riveros, J. Phys. Chem. A 105 (2001) 7241.
23. J.R. Pliego Jr., J.M. Riveros, J. Phys. Chem. A 106 (2002) 7434.