Use of effective core potential calculations for the conformational and vibrational study of platinum(II) anticancer drugs-cis- diamminedichloroplatinum(II) as a case study

Journal of Physical Chemistry A

Volumn 112, Issue 14, 2008, Pages 3253-3259

  Fiuza, Sónia M ^a   Amado, Ana M ^a   Marques, Maria P M ^a   Batista De Carvalho, Luis A E ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMOTHERAPY; DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; DRUG DELIVERY; DRUG DOSAGE; MOLECULAR ORBITALS; PLATINUM; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

AMERICAN CHEMICAL SOCIETY (ACS); ANTI CANCER DRUGS; ANTICANCER PROPERTIES; BASIS SETS; BIOLOGICAL ACTIVITIES; CALCULATION METHODS; CASE STUDIES; CISPLATIN (CDDP); CONFORMATIONAL PREFERENCES; DFT METHODS; EFFECTIVE CORE POTENTIAL (ECP); INORGANIC SYSTEMS; PLATINUM (II); QUANTUM-MECHANICAL (QM); VIBRATIONAL STUDY;

CALCULATIONS;

ANTINEOPLASTIC AGENT; CISPLATIN;

ARTICLE; CHEMISTRY; CONFORMATION; VIBRATION;

ANTINEOPLASTIC AGENTS; CISPLATIN; MOLECULAR CONFORMATION; VIBRATION;

EID: 43049120702     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp710868p     Document Type: Article

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