Coupling CP-MD simulations and X-ray absorption spectroscopy: exploring the structure of oxaliplatin in aqueous solution

Journal of Physical Chemistry B

Volumn 113, Issue 36, 2009, Pages 12343-12352

  Beret, Elizabeth C ^a   Provost, Karine ^b   Müller, Diane ^b   Marcos, Enrique Sánchez ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

^b CNRS Université Paris Est Créteil Val de Marne   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ATOMIC SPECTROSCOPY; ATOMS; CYCLOHEXANE; HYDRATION; LIGANDS; MOLECULAR DYNAMICS; OXYGEN; PLATINUM; PLATINUM COMPOUNDS; SOLUTIONS; X RAY ABSORPTION; X RAY ABSORPTION SPECTROSCOPY; X RAY ANALYSIS;

AB INITIO MOLECULAR DYNAMICS; ANTICANCER DRUG; APPROPRIATE MODELS; AQUEOUS SOLUTIONS; CIS-PLATIN; CYCLOHEXANE RING; CYCLOHEXANEDIAMINE; EXAFS; GLOBAL FITTING PROCEDURES; HYDRATION STRUCTURE; LIQUID WATER; MD SIMULATION; OXALIPLATIN; OXYGEN ATOM; PT COMPLEXES; SPECTRAL FEATURE; STRUCTURAL DETERMINATION; STRUCTURAL MOTIFS; STRUCTURAL PARAMETER; THEORETICAL APPROACH; THIRD GENERATION; XANES SPECTRA;

ABSORPTION SPECTROSCOPY;

EID: 69949126901     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905415v     Document Type: Article

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