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List of works by Vladimir Pelmenschikov

A mechanism from quantum chemical studies for methane formation in methanogenesis

scientific article published on 01 April 2002

A theoretical study of the mechanism for peptide hydrolysis by thermolysin

scientific article (publication date: March 2002)

Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate Ligand

scientific article published on 21 October 2019

Catalysis by methyl-coenzyme M reductase: a theoretical study for heterodisulfide product formation

scientific article published in May 2003

Characterization of [4Fe-4S] cluster vibrations and structure in nitrogenase Fe protein at three oxidation levels via combined NRVS, EXAFS, and DFT analyses

scientific article published on 11 February 2013

Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

scientific article

Characterization of the [3Fe-4S](0/1+) cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analyses.

scientific article

Class I ribonucleotide reductase revisited: the effect of removing a proton on Glu441.

scientific article published in February 2004

Copper-zinc superoxide dismutase: theoretical insights into the catalytic mechanism

scientific article published in May 2005

Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy.

scientific article published on 14 March 2017

Docking and migration of carbon monoxide in nitrogenase: the case for gated pockets from infrared spectroscopy and molecular dynamics

scientific article

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.

scientific article

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment

scientific article

High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT

scientific article published on 25 June 2018

High-Frequency Fe-H and Fe-H<sub>2</sub> Modes in a <i>trans</i>-Fe(η<sup>2</sup>-H<sub>2</sub>)(H) Complex: A Speed Record for Nuclear Resonance Vibrational Spectroscopy

scientific article published on 23 December 2020

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

scientific article

IR-monitored photolysis of CO-inhibited nitrogenase: a major EPR-silent species with coupled terminal CO ligands

scientific article published on 7 November 2012

Insights from 125Te and 57Fe nuclear resonance vibrational spectroscopy: a [4Fe-4Te] cluster from two points of view

scientific article published on 24 June 2019

Is there a Ni-methyl intermediate in the mechanism of methyl-coenzyme M reductase?

scientific article published on 01 July 2009

Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity

scientific article published on 26 June 2008

Low frequency dynamics of the nitrogenase MoFe protein via femtosecond pump probe spectroscopy - Observation of a candidate promoting vibration

scientific article

Nickel superoxide dismutase reaction mechanism studied by hybrid density functional methods.

scientific article

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory

scientific article published on 20 October 2017

Redox-dependent structural transformations of the [4Fe-3S] proximal cluster in O2-tolerant membrane-bound [NiFe]-hydrogenase: a DFT study

scientific article published on 5 August 2013

Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O2-Tolerant Membrane-Bound Hydrogenase in the Crystalline State

article

Reversible [4Fe-3S] cluster morphing in an O(2)-tolerant [NiFe] hydrogenase

scientific article

Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-Bridged Intermediates

scientific article published on 30 December 2019

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate.

scientific article published on 31 January 2018

Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding an

scientific article

Synthesis and vibrational spectroscopy of (57)Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel-iron interaction

scientific article

Terminal Hydride Species in [FeFe]-Hydrogenases Are Vibrationally Coupled to the Active Site Environment

scientific article published on 23 July 2018

Terminal Hydride Species in [FeFe]‐Hydrogenases Are Vibrationally Coupled to the Active Site Environment

scientific article

Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environments

scientific article published on 21 November 2007

The HydG enzyme generates an Fe(CO)2(CN) synthon in assembly of the FeFe hydrogenase H-cluster.

scientific article

The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study

scientific article published on 23 November 2015

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