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Methods in Molecular Biology (Clifton, N.J.)|March 19, 2014
Density functional theory-broken symmetry (DFT-BS) methodology applied to electronic and magnetic properties of bioinorganic prosthetic groupsJean-Marie MouescaThe Journal of Physical Chemistry. A|May 7, 2010
Valence bond/broken symmetry analysis of the exchange coupling constant in copper(II) dimers. Ferromagnetic contribution exalted through combined ligand topology and (singlet) covalent-ionic mixingNicolas Onofrio, Jean-Marie MouescaInorganic Chemistry|May 22, 2008
Variation of average g values and effective exchange coupling constants among [2Fe-2S] clusters: a density functional theory study of the impact of localization (trapping forces) versus delocalization (double-exchange) as competing factorsMaylis Orio, Jean-Marie MouescaInorganic Chemistry|May 31, 2011
Analysis of the singlet-triplet splitting computed by the density functional theory-broken-symmetry method: is it an exchange coupling constant?Nicolas Onofrio, Jean-Marie MouescaInorganic Chemistry|February 18, 2004
Correlation between the magnetic g tensors and the local cysteine geometries for a series of reduced [2Fe-2S*] protein clusters. A quantum chemical density functional theory and structural analysisSerge Gambarelli, Jean-Marie MouescaJournal of the American Chemical Society|June 6, 2002
An approach based on quantum chemistry calculations and structural analysis of a [2Fe-2S] ferredoxin that reveal a redox-linked switch in the electron-transfer process to the Fd-NADP+ reductaseRenaud Morales, Michel Frey, Jean-Marie MouescaThe Journal of Physical Chemistry. A|July 15, 2006
Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPRVincent Maurel, Jean-Marie Mouesca, Gérard Desfonds, et al.Scientific Reports|August 31, 2019
A trade-off for covalent and intercalation binding modes: a case study for Copper (II) ions and singly modified DNA nucleosideJean-Marie Mouesca, Hania Ahouari, Sarath Chandra Dantu, et al.Inorganic Chemistry|January 21, 2011
Carbon monoxide dehydrogenase reaction mechanism: a likely case of abnormal CO2 insertion to a Ni-H(-) bondPatricia Amara, Jean-Marie Mouesca, Anne Volbeda, et al.Inorganic Chemistry|September 12, 2006
An unprecedented asymmetric end-on azido-bridged copper(II) imino nitroxide complex: structure, magnetic properties, and density functional theory analysisLicun Li, Daizheng Liao, Zonghui Jiang, et al.Pageof 6