3 resultats trouvés
[ Auteur
] Titre Type Année Filtres: Auteur est Michel, Carine [Clear All Filters]
Free energy calculation of the effects of the fluorinated phosphorus ligands on the C-H and C-C reductive elimination from Pt(IV).,
, J. Mol. Struct. THEOCHEM, Volume 852, Number 1-3, p.54–61, (2008)
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, Volume 26, Number 5, p.1241–1249, (2007)
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate.,
, J. Chem. Theory Comput., Volume 5, Number 9, p.2193–2196, (2009)