8 resultats trouvés
Auteur Titre Type [ Année
] Filtres: Auteur est Michel, Carine [Clear All Filters]
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)
A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with $\alpha$,$\beta$-unsaturated lactones and with cyclic vinyl ethers: Part 1.,
, Tetrahedron: Asymmetry, Volume 19, Number 14, p.1660–1669, (2008)
A DFT study of 1,3-dipolar cycloadditions of cyclic nitrones to unsaturated lactones. Part II.,
, Tetrahedron: Asymmetry, Volume 19, Number 18, p.2140–2148, (2008)
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)
Synthesis of N-acridinyl-N'-alkylguanidines: Dramatic influence of amine to guanidine replacement on the physicochemical properties.,
, Bioorg. Med. Chem. Lett., Volume 18, Number 17, p.4779–4782, (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)
Silver versus gold catalysis in tandem reactions of carbonyl functions onto alkynes: a versatile access to furoquinoline and pyranoquinoline cores.,
, Chem. - A Eur. J., Volume 13, Number 19, p.5632–5641, S5632/1–S5632/46, (2007)
Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms.,
, Chem. - A Eur. J., Volume 13, Number 32, p.9093–9106, (2007)