Reinterpretation of the spectra of hydrated Co++: An ab initio study

Journal of Physical Chemistry A

Volumn 102, Issue 32, 1998, Pages 6525-6532

  Gilson, Hillary S R ^a   Krauss, Morris ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000167663     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980163y     Document Type: Article

References (26)

1. Jorgensen, C. K. Acta Chem. Scand. 1964, 1495.
2. Holmes, O. G.; McClure, D. S. J. Chem. Phys. 1957, 26, 1686.
3. Bertini, I.; Luchinat, C. In Advances in Inorganic Biochemistry; Eichorn, G. L., Marzilli, L. G., Eds.; Elsevier: New York, 1984, Vol. 6, 71-111.
4. Magini, M.; Licheri, G.; Paschina, G.; Piccaluga, G.; Pinna, G. X-ray Diffraction of Ions in Aqueous Solutions: Hydration and Complex Formation; CRC Press: Boca Raton, FL, 1988.
5. Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Quesada, J. F. Inorg. Chem. 1993, 52, 4861.
6. Swaddle, T. W.; Fabes, L. Can. J. Chem. 1980, 58, 1418.
7. Swift, T. J.; Connick, R. E. J. Chem. Phys. 1962, 37, 307.
8. DuCommun, Y.; Newman, K. E.; Merbach, A. E. Inorg. Chem. 1980, 19, 3696.
9. Akesson, R.; Pettersson, L. G. M.; Sandstrom, M.; Siegbahn, P. E. M.; Wahlgren, U. J. Phys. Chem. 1993, 97, 3765.
10. Connick, R. E.; Alder, B. J. J. Phys. Chem. 1983, 87, 2764.
11. Swaddle, T. W. Comments Inorg. Chem. 1991, 12, 237.
12. Giasson, G.; Tewari, P. H. Can. J. Chem. 1978, 56, 435.
13. Akesson, R.; Pettersson, L. G. M.; Sandstrom, M.; Wahlgren, U. J. Phys. Chem. 1992, 96, 150.
14. Akesson, R.; Pettersson, L. G. M.; Sandstrom, M.; Siegbahn, P. E. M. J. Phys. Chem. 1992, 96, 10773.
15. 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.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
16. Stevens, W. J.; Basch, H.; Krauss, M. J. Chem. Phys. 1984, 81, 6026.
17. NBS atomic energy tables.
18. Nakano, H. J. Chem. Phys. 1993, 99, 7983.
19. Koseki, S.; Gordon, M. S.; Schmidt, M. W.; Matsunaga, N. J. Phys. Chem. 1995, 99, 12764.
20. Abragam, A.; Pryce, M. H. L. Proc. R. Soc. London 1951, A206, 175.
21. Cammi, R.; Tomasi, J. J. Comput. Chem. 1995, 16, 1449.
22. Reedijk, J.; Driessen, W. L.; Groeneveld, W. R. Rec. Trav. Chim. 1969, 88, 1095.
23. Gailey, K. D.; Palmer, R. A. Chem. Phys. Lett. 1972, 13, 176.
24. Weakliem, H. A. J. Chem. Phys. 1962, 36, 2117.
25. Fernandez, D. P.; Goodwin, A. R. H.; Lemmon, E. W.; Levelt Sengers, J. M. H., Williams, R. C. J. Phys. Chem. Ref. Data 1997, 26, 4, 1125.
26. Schaftenaar, G. QCPE619, MOLDEN: A Portable Electron Density Program. QCPE 1992, 12, 3.