about
Dipeptide hydrolysis by the dinuclear zinc enzyme human renal dipeptidase: mechanistic insights from DFT calculationsDFT study on the mechanism of Escherichia coli inorganic pyrophosphataseMechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations.Mechanism and selectivity of the dinuclear iron benzoyl-coenzyme A epoxidase BoxB.Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity.A Dinuclear Ruthenium-Based Water Oxidation Catalyst: Use of Non-Innocent Ligand Frameworks for Promoting Multi-Electron ReactionsQuantum chemical studies of mechanisms for metalloenzymes.Theoretical Study of the Mechanism of the Nonheme Iron Enzyme EgtB.The mechanism of hydrogen evolution in Cu(bztpen)-catalysed water reduction: a DFT study.Phosphate mono- and diesterase activities of the trinuclear zinc enzyme nuclease P1--insights from quantum chemical calculations.DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex.Mechanism, reactivity, and selectivity of the iridium-catalyzed C(sp3)-H borylation of chlorosilanes.On the effect of varying constraints in the quantum mechanics only modeling of enzymatic reactions: the case of acetylene hydratase.Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study.Nonredox Metal Ions Promoted Olefin Epoxidation by Iron(II) Complexes with H2O2: DFT Calculations Reveal Multiple Channels for Oxygen Transfer.Theoretical investigation of the reaction mechanism of the dinuclear zinc enzyme dihydroorotase.Theoretical studies on pyridoxal 5'-phosphate-dependent transamination of alpha-amino acids.Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase.Determinants of regioselectivity and chemoselectivity in fosfomycin resistance protein FosA from QM/MM calculations.Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis.Synthesis of Deoxyglycosides by Desulfurization under UV Light.Mechanism of Water Oxidation Catalyzed by a Mononuclear Manganese Complex.Unraveling the Mechanism and Regioselectivity of the B12-Dependent Reductive Dehalogenase PceA.Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore.Mechanism of Water Oxidation Catalyzed by a Mononuclear Iron Complex with a Square Polypyridine Ligand: A DFT Study.Iron-Catalyzed Regiospecific Intermolecular Radical Cyclization of Anilines: Strategy for Assembly of 2,2-Disubstituted Indolines.Catalytic water oxidation by a molecular ruthenium complex: unexpected generation of a single-site water oxidation catalyst.Why is the oxidation state of iron crucial for the activity of heme-dependent aldoxime dehydratase? A QM/MM study.Repair of DNA Dewar photoproduct to (6-4) photoproduct in (6-4) photolyase.Theoretical studies on photoisomerizations of (6-4) and Dewar photolesions in DNA.Photocatalytic reduction of CO to CO and formate by a novel Co(ii) catalyst containing a cis-oxygen atom: photocatalysis and DFT calculationsComparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene HydrataseDFT studies of the degradation mechanism of methyl mercury activated by a sulfur-rich ligandZwitterion–Ag Complexes That Simultaneously Enhance Biofouling Resistance and Silver Binding Capability of Thin Film Composite MembranesWater-assisted transamination of glycine and formaldehydeHighly efficient and site-selective [3 + 2] cycloaddition of carbene-derived ambident dipoles with ketenes for a straightforward synthesis of spiro-pyrrolidonesMechanism of mycolic acid cyclopropane synthase: a theoretical studyTheoretical investigation of the first-shell mechanism of acetylene hydration catalyzed by a biomimetic tungsten complexTungsten-dependent formaldehyde ferredoxin oxidoreductase: reaction mechanism from quantum chemical calculationsIntrinsic property of flavin mononucleotide controls its optical spectra in three redox states
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Rong-Zhen Liao
@ast
Rong-Zhen Liao
@en
Rong-Zhen Liao
@es
Rong-Zhen Liao
@nl
Rong-Zhen Liao
@sl
type
label
Rong-Zhen Liao
@ast
Rong-Zhen Liao
@en
Rong-Zhen Liao
@es
Rong-Zhen Liao
@nl
Rong-Zhen Liao
@sl
prefLabel
Rong-Zhen Liao
@ast
Rong-Zhen Liao
@en
Rong-Zhen Liao
@es
Rong-Zhen Liao
@nl
Rong-Zhen Liao
@sl
P106
P1153
16307238300
P31
P496
0000-0002-8989-6928