Electron hydration energy: Nonempirical estimate

Protection of Metals

Volumn 43, Issue 2, 2007, Pages 129-140

  Novakovskaya, Yu V ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; RELAXATION PROCESSES;

BULK WATER LAYERS; ELECTRON HYDRATION ENERGY; MOLECULAR CLUSTER SYSTEMS; NONEMPIRICAL ESTIMATE;

HYDRATION;

EID: 34147146396     PISSN: 00331732     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0033173207020063     Document Type: Article

References (53)

1. Bartczak, W.M. and Pernal, K., Computers Chemistry, 2000, vol. 24, p. 469.
2. Migus, A., Gauduel, Y., Martin, J.L., and Antonetti, A., Phys. Rev. Lett., 1987, vol. 58, no. 15, p. 1559.
3. Keszei, E., Nagy, S., Murphrey, T.H., and Rossky, P.J., J. Chem. Phys., 1993, vol. 99, no. 3, p. 2004.
4. Long, F.H., Lu, H., and Eisenthal, K.B., Phys. Rev. Lett., 1990, vol. 64, no. 12, p. 1469.
5. Lu, H., Long, EH., and Eisenthal, K.B., J. Opt. Soc. Am. B, 1990, vol. 7, no. 8, p. 1511.
6. Assel, M., Laenen, R., and Laubereau, A., J. Phys. Chem. A, 1998, vol. 102, no. 13, p. 2256.
7. Hart, E.J. and Boag, J.W., J. Am. Chem. Soc., 1962, vol. 84, p. 4090.
8. Gottschall, W.C. and Hart, E.J., J. Phys. Chem., 1967, vol. 71, no. 7, p. 2102.
9. Michael, B.D., Hart, E.J., and Schmidt, K.H., J. Phys. Chem., 1971, vol. 75, no. 18, p. 2798.
10. Cavanagh, M.C., Martini, I.B., and Schwartz, B.J., Chem. Phys. Lett., 2004, vol. 396, p. 359.
11. Kambhampati, P., Son, D.H., Kee, T.W., and Barbara, P.P., J. Phys. Chem. A, 2002, vol. 106, no. 10, p. 2374.
12. Son, D.H., Kambhampati, P., Kee, T.W., and Barbara, P.E., Chem. Phys. Lett., 2001, vol. 342, p. 571.
13. Assel, M., Laenen, R., and Laubereau, A., J. Chem. Phys., 1999, vol. 111, no. 15, p. 6869.
14. Kim, J., Suh, S.B., and Kim, K.S., J. Chem. Phys., 1999, vol. 111, no. 22, p. 10077.
15. Lee, H.M., Suh, S.B., and Kim, K.S., J. Chem. Phys., 2003, vol. 118, no. 22, p. 9981.
16. Lee, H.M., Lee, S., and Kim, K.S., J. Chem. Phys., 2003, vol. 119, no. 1, p. 187.
17. Lee, H.M., Suh, S.B., Tarakeshwar, P., and Kim, K.S., J. Chem. Phys., 2005, vol. 122, 044309.
18. Weigend, F. and Ahlrichs, R., Phys. Chem. Chem. Phys., 1999, vol. 1, p. 4537.
19. Sobolewski, A.L. and Domcke, W., Phys. Chem. Chem. Phys., 2003, vol. 5, p. 1130.
20. Lee, S., Kim, J., Lee, S.J., and Kim, K.S., Phys. Rev. Lett., 1997, vol. 79, no. 11, p. 2038.
21. Newton, M.D., J. Phys. Chem., 1975, vol. 79, no. 26, p. 2795.
22. Noel, J.O. and Morokuma, K., J. Phys. Chem., 1977, vol. 81, no. 24, p. 2295.
23. Rao, B.K. and Kestner, N.R., J. Chem. Phys., 1984, vol. 80, no. 4, p. 1587.
24. Kestner, N.R. and Jortner, J., J. Phys. Chem., 1984, vol. 88, no. 17, p. 3818.
25. Khan, A., Chem. Phys. Lett., 2005, vol. 401, p. 85.
26. Tsurusawa, T. and Iwata, S., Chem. Phys. Lett., 2000, vol. 315, p. 433.
27. Hao, X.-Y., Li, Z.-R., Wu, D., Li, Z.-S., and Sun, C.-C., Chem. Phys. Lett., 2003, vol. 370, p. 665.
28. Novakovskaya, Yu.V. and Stepanov, N.F., Chem Phys. Lett., 2001, vol. 344, p. 619.
29. Novakovskaya, Yu.V. and Stepanov, N.F., Int. J. Quantum Chem., 2002, vol. 88, p. 496.
30. Coe, J.V., Lee, G.H., Eaton, J.G., Arnold, S.T., Sarkas, H.W., Bowen, K.H., Judewigt, C., and Haberl, H., J. Chem. Phys., 1990, vol. 92, no. 6, p. 3980.
31. Coe, J.V., Intern. Rev. Phys. Chem., 2001, vol. 20, no. 1, p. 33.
32. Ayotte, P. and Johnson, M.A., J. Chem. Phys., 1997, vol. 106, no. 2, p. 811.
33. Barnett, R.N., Landman, U., and Cleveland, C.L., Chem. Phys. Lett., 1988, vol. 145, no. 5, p. 382.
34. Barnett, R.N., Landman, U., Cleveland, C.L., and Jortner, J., J. Chem. Phys., 1988, vol. 88, no. 7, p. 4429.
35. Turi, L., Sheu, W.-S., and Rossky, P.J., Science, 2005, vol. 309, p. 914.
36. Makov, G. and Nitzan, A., J. Phys. Chem., 1994, vol. 98, no. 13, p. 3459.
37. Zhan, C.-G. and Dixon, D.A., J. Phys. Chem. B, 2003, vol. 107, no. 18, p. 4403.
38. Lepoutre, G. and Jortner, J., J. Phys. Chem., 1972, vol. 76, no. 5, p. 683.
39. Jortner, J. and Noyes, R.M., J. Phys. Chem., 1966, vol. 70, no. 3, p. 770.
40. Novakovskaya, Yu.V., Zashch. Met., 2006, vol. 42, no. 6, p. 584
41. [Prot. Met. (Engl. Transl.), 2006, vol. 42, no. 6, p. 542].
42. Novakovskaya, Yu.V., Zashch. Met., 2007, vol. 43, no. 1, p. 25
43. [Prot. Met. (Engl. Transl.), 2007, vol. 43, no. 1, p. 22].
44. 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.J., Windus, T.L., Dupuis, M., and Montgomery, J.A., J. Comput. Chem., 1993, vol. 14, p. 1347.
45. Granovsky, A.A., PC GAMESS, v. 7.0, http://classic.chem.msu.su/ gran/gamess/index.html.
46. Ayotte, P., Weddle, G.H., Bailey, C.G., Johnson, M.A., Vila, F., and Jordan, K.D., J. Chem. Phys., 1999, vol.110, no. 13, p. 6268.
47. Bailey, C.G. and Johnson, M.A., Chem. Phys. Lett., 1997, vol. 265, p. 185.
48. Kim, J., Becker, I., Cheshnovsky, O., and Johnson, M.A., Chem. Phys. Lett., 1998, vol. 297, p. 90.
49. Shin, J.-W., Hammer, N.I., Headrick, J.M., and Johnson, M.A., Chem. Phys. Lett., 2004, vol. 399, p. 349.
50. Verlet, J.R.R., Bragg, A.E., Kammrath, A., Cheshnovsky, O., and Neumark, D.M., Science, 2005, vol. 307, p. 93.
51. Pleskov, Yu.V. and Rotenberg, Z.A., Electroanal. Chem. Interfac. Electrochem., 1969, vol. 20, p. 1.
52. Grand, D., Bernas, A., and Amouyal, E., Chem. Phys., 1979. vol. 44, p. 73.
53. Bernas, A., Grand, D., and Amouyal, E., J. Phys. Chem., 1980. vol. 84, no. 10, p. 1259.