Comparison of different theory models and basis sets in the calculations of structures and13C NMR spectra of [Pt(en)(CBDCA-O, O′)], an analogue of the antitumor drug carboplatin

Journal of Physical Chemistry B

Volumn 114, Issue 11, 2010, Pages 4056-4062

  Gao, Hongwei ^a   Wei, Xiujuan ^a   Liu, Xuting ^a   Yan, Tingxia ^a  

^a WENZHOU MEDICAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PLATINUM; PROBABILITY DENSITY FUNCTION;

ANTITUMOR DRUGS; BASIS SETS; CARBOPLATIN; DENSITY-FUNCTIONAL METHODS; DFT METHOD; NMR SPECTRUM; THEORY MODEL; VARIOUS DENSITIES;

DENSITY FUNCTIONAL THEORY;

EID: 77949859244     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp912005a     Document Type: Article

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