Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway.
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Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4.Residue Mutations in [Fe-Fe]-hydrogenase Impedes O(2) Binding: A QM/MM Investigation.Computational approaches to shed light on molecular mechanisms in biological processes[Fe-Fe]-hydrogenase Reactivated by Residue Mutations as Bridging Carbonyl Rearranges: A QM/MM Study.Chelate control of diiron(I) dithiolates relevant to the [Fe-Fe]- hydrogenase active sitePreparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6Inactivation of [Fe-Fe]-Hydrogenase by O(2). Thermodynamics and Frontier Molecular Orbitals Analyses.Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases.Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate.
P2860
Q30574610-427B379E-1FC7-4E66-B522-0EA5A878B1ACQ33859875-E977E491-26C7-47FA-B496-7F3AB42733DDQ34671563-E25FABCC-8A0F-4739-9854-79C547CAC5AAQ35674131-A706AB74-0A01-49A3-B224-2AA5283125DBQ36726929-348DD5BA-925D-429D-9CD7-C0D967A3EC1FQ36768109-784B6CF3-75B4-4289-98DF-74A754010849Q37035677-2960A255-1EDB-44A9-9F60-7E0EC3E4A259Q46437132-B70A1362-511A-4E00-B016-473452EEF417Q52331091-E51EECBD-049E-4FF2-B975-8DD8BE726C1B
P2860
Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@en
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@nl
type
label
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@en
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@nl
prefLabel
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@en
Dissecting the intimate mechan ...... carbonyl substitution pathway.
@nl
P2093
P50
P356
P1476
Dissecting the intimate mechan ...... carbonyl substitution pathway
@en
P2093
Luca De Gioia
Mathieu Razavet
Piercarlo Fantucci
P304
P356
10.1002/CHEM.200400442
P407
P577
2005-01-01T00:00:00Z