The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumor drugs: Cisplatin and carboplatin

Journal of Computational Chemistry

Volumn 22, Issue 9, 2001, Pages 901-912

  Wysokiński, Rafał ^a   Michalska, Danuta ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Antitumor; Carboplatin; Cisplatin; Density functional theory; Infrared intensities; Platinum(II) complexes; Raman activities; Vibrational frequencies

Indexed keywords

EID: 1642403026     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1053     Document Type: Article

References (15)

1. (a) Rosenberg, B.; Van Camp, L.; Krigas, T. Nature 1965, 205, 698;
2. (b) Rosenberg, B.; Van Camp, L.; Trosko, J. E.; Mansour, V. H. Nature 1969, 222, 385.
3. (a) Sherman, S. E.; Lippard, S. J. Chem Rev 1987, 87, 1153;
4. (b) Bruhn, S. L.; Toney, J. H. In Progress in Inorganic Chemistry: Bioinorganic Chemistry; Lippard, S. J., Ed.; Wiley: New York, 1990, p. 477, vol. 38;
5. (c) Bancroft, D. P.; Lepre, C. A.; Lippard, S. J. J Am Chem Soc 1990, 112, 6860.
6. (a) Fichtinger-Schepman, A. M. J.; van der Veer, J. L.; den Hartog, J. H. J.; Lohman, P. H. M.; Reedijk, J. Biochemistry 1985, 24, 707;
7. (b) Reedijk, J.; Fichtinger-Schepman, A. M. J.; Van Osterom, A. T.; Van de Putte, P. Struct Bonding (Berlin) 1987, 67, 53;
8. (c) van der Veer, J. L.; Reedijk, J. Chem Br 1988, 24, 775.
9. (a) Miller, S. E.; House, D. A. Inorg Chim Acta 1991, 187, 125;
10. (b) Miller, S. E.; Gerard, K. J.; House, D. A. Inorg Chim Acta 1991, 190, 135.
11. Jamieson, E. R.; Lippard, S. J. Chem Rev 1999, 99, 2467.
12. (a) Basch, H.; Krauss, M. Stevens, W. J.; Cohen, D. Inorg Chem 1985, 24, 3313;
13. (b) Krauss, M.; Basch, H.; Miller, K. J. Chem Phys Lett 1988, 14, 577.
14. (a) Carloni, P.; Andreoni, W.; Hutter, J.; Curioni, A.; Giannozzi, P.; Parrinello, M. Chem Phys Lett 1995, 234, 50.
15. Pavankumar, P. N. V.; Seetharamulu, P.; Yao, S.; Saxe, J. D.; Reddy, D. G.; Hausheer, F. H. J Comput Chem 1999, 20, 3888.