Conformational and vibrational study of cis-diamminedichloropalladium(ii)

A conformational and vibrational analysis of cis-diamminedichloropalladium(ii) (cDDPd) is reported. Several theoretical methods (from Hartree-Fock to Møller-Plesset and Density Functional Theory) combined with different all-electron basis-sets are evaluated, in view of determining the best suited st...

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Detalhes bibliográficos
Autor principal: Fiuza, Sónia M. (author)
Outros Autores: Amado, Ana M. (author), Santos, Hélio F. Dos (author), Marques, Maria P. M. (author), Carvalho, Luis A. E. Batista de (author)
Formato: article
Idioma:eng
Publicado em: 2010
Assuntos:
Antineoplastic Agents
Coordination Complexes
Models, Molecular
Quantum Theory
Molecular Conformation
Vibration
Texto completo:http://hdl.handle.net/10316/45104
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/45104

Texto Completo

http://hdl.handle.net/10316/45104

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