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

EC Beret, K Provost, D Müller…

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

全文：HTML全文

被引用次数: 19

摘要

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

… of anionic oxygen versus neutral sulfur donor atoms of met...

[Battan, Laura; Fantasia, Serena; Manassero, Mario; Pasini, Alessandro; Sansoni, Mirella Inorganica Chimica Acta, 2005 , vol. 358, # 3 p. 555 - 564]

Vapour pressure and thermoanalytical study of diethyldithioc...

[Sysoev; Morozova; Zharkova; Igumenov; Semyannikov; Grankin Journal of Thermal Analysis and Calorimetry, 1998 , vol. 53, # 1 p. 87 - 96]

Synthetic and X-ray Structural and Reactivity Studies of Cp*...

[Cornock, Margaret C.; Stephenson, T. Anthony Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1977 , p. 501 - 505]