MP2 study on adsorption of hydrated Na+ and Au+ cations on the Au(111) surface

Journal of Physical Chemistry B

Volumn 110, Issue 51, 2006, Pages 25926-25930

  Karttunen, Antti J ^a   Pakkanen, Tapani A ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; ELECTROSTATICS; MOLECULAR DYNAMICS; SODIUM COMPOUNDS; WATER;

ADSORPTION ENERGY; HYDRATED CATIONS; WATER MOLECULES; WATER-WATER INTERACTIONS;

POSITIVE IONS;

EID: 33846401451     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066205x     Document Type: Article

References (27)

1. Jakubke, H.-D.; Jeschkeit, H. In Concise Encyclopedia Chemistry, 1st ed.; Wiley: New York, 1993; pp 465-466.
2. Karttunen, A. J.; Rowley, R. L.; Pakkanen, T. A. J. Phys. Chem. B 2005, 109, 23983.
3. Karttunen, A. J.; Pakkanen, T. A. J. Phys. Chem. B 2006, 110, 14379.
4. Neumann, A.; Schroeder, S. L. M.; Christmann, K. Phys. Rev. B 1995, 51, 155421.
5. Barth, J. V.; Behm, R. J.; Ertl, G. Surf. Sci. 1995, 341, 62.
6. Glendening, E. D.; Feller, D. J. Phys. Chem. 1995, 99, 3060.
7. Feller, D.; Glendening, E. D.; Woon, D. E; Feyereisen, M. W. J. Chem. Phys. 1995, 103 (9), 3526.
8. Hashimoto, K.; Morokuma, K. J. Am. Chem. Soc. 1994, 116, 11436.
9. Bauschlicher, C. W., Jr.; Langhoff, S. R.; Partridge, H. J. Chem. Phys. 1991, 95, 5142.
10. Feller, D.; Glendening, E. D.; de Jong, W. A. J. Chem. Phys. 1999, 110 (3), 1475.
11. Lee, H. M.; Min, S. K.; Lee, E. C.; Min, J.-H.; Odde, S.; Kim, K. S. J. Chem. Phys. 2005, 122, 064314.
12. Džidić, I.; Kebarle, P. J. Phys. Chem. 1970, 74, 1466.
13. Poisson, L.; Lepetit, F.; Mestdagh, J.-M.; Visticot, J.-P. J. Phys. Chem. A 2002, 106, 5455.
14. Michaelides, A.; Ranea, V. A.; de Andres, P. L.; King, D. A. Phys. Rev. Lett. 2003, 90, 216102.
15. Pyykkö, P. Angew. Chem., Int. Ed. 2004, 43, 4412.
16. Pyykkö, P. Chem. Rev. 1988, 888, 563.
17. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829.
18. Weigend, F.; Häser, M.; Patzelt, H.; Ahlrichs, R. Chem. Phys. Lett. 1998, 294, 143.
19. Andrae, D.; Häussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chem. Acc. 1990, 77, 123.
20. Weigend, F.; Häser, M. Theor. Chem. Acc. 1997, 97, 331.
21. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
22. Sauer, J.; Ugliengo, P.; Garrone, E.; Saunders, V. R. Chem. Rev. 1994, 94, 2095.
23. Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165.
24. Whitten, J. L.; Yang, H. Surf. Sci Rep. 1996, 24, 55.
25. Bagus, P. S.; Illas, F. In Encyclopedia of Computational Chemistry; Wiley: New York, 1998; Vol 4, p 2870.
26. Minot, C.; Markovits, A. THEOCHEM 1998, 424, 119.
27. Borg, R. J.; Dienes, G. J. In The Physical Chemistry of Solids, 1st ed.; Academic Press: San Diego, CA, 1992; p 23.