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

EC Beret, K Provost, D Müller…

Index: Bouvet, Diane; Michalowicz, Alain; Crauste-Manciet, Sylvie; Brossard, Denis; Provost, Karine Inorganic Chemistry, 2006 , vol. 45, # 8 p. 3393 - 3398

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Citation Number: 19

Abstract

A combined experimental− theoretical approach applying X-ray absorption spectroscopy and ab initio molecular dynamics (CP-MD) simulations is used to get insight into the structural determination of oxaliplatin, a third-generation anticancer drug of the cisplatin

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