Quantum chemical calculations of the reorganization energy of blue-copper proteins
about
Mechanisms for control of biological electron transfer reactionsCharacterization of the [3Fe-4S](0/1+) cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analyses.Protein control of true, gated, and coupled electron transfer reactions.Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations.Theoretical investigations on Azotobacter vinelandii ferredoxin I: effects of electron transfer on protein dynamics.Electron transfer and reaction mechanism of laccasesUnderstanding rubredoxin redox sites by density functional theory studies of analogues.Axial interactions in the mixed-valent CuA active site and role of the axial methionine in electron transfer.In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts.Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins.Anisotropic covalency contributions to superexchange pathways in type one copper active sites.Correlation of rhombic distortion of the type 1 copper site of M98Q amicyanin with increased electron transfer reorganization energy.Continuum electrostatic investigations of charge transfer processes in biological molecules using a microstate description.Comparison of the chemical properties of iron and cobalt porphyrins and corrins.Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand.Inter- and Intramolecular Electron Transfer in Copper Complexes: Electronic Entatic State with Redox-Active Guanidine Ligands.Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes.A new molecular mechanics force field for the oxidized form of blue copper proteins.Direct simulation of electron transfer in the cobalt hexammine(ii/iii) self-exchange reaction.
P2860
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P2860
Quantum chemical calculations of the reorganization energy of blue-copper proteins
description
1998 nî lūn-bûn
@nan
1998年の論文
@ja
1998年学术文章
@wuu
1998年学术文章
@zh-cn
1998年学术文章
@zh-hans
1998年学术文章
@zh-my
1998年学术文章
@zh-sg
1998年學術文章
@yue
1998年學術文章
@zh
1998年學術文章
@zh-hant
name
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@ast
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@en
type
label
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@ast
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@en
prefLabel
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@ast
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@en
P2093
P2860
P356
P1433
P1476
Quantum chemical calculations of the reorganization energy of blue-copper proteins
@en
P2093
P2860
P304
P356
10.1002/PRO.5560071220
P577
1998-12-01T00:00:00Z