Free energy ab Initio metadynamics: A new tool for the theoretical study of organometallic reactivity? Example of the C-C and C-H reductive eliminations from platinum(IV) complexes

Organometallics

Volumn 26, Issue 5, 2007, Pages 1241-1249

  Michel, Canne ^a   Laio, Alessandro ^b   Mohamed, Fawzi ^b   Krack, Matthias ^b   Parrinello, Michele ^b   Milet, Anne ^a  

^a UNIVERSITÉ JOSEPH FOURIER   (France)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; FREE ENERGY; LIGANDS; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

ACTIVATION FREE ENERGY; DIPHOSPHINE; LIGAND DISSOCIATION; METADYNAMICS;

ORGANOMETALLICS;

EID: 33947184342     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om060980h     Document Type: Article

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