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List of works by Alexander V Soudackov

Analysis of kinetic isotope effects for proton-coupled electron transfer reactions

scientific article

Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex

scientific article published on 18 August 2007

Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms

scientific article published in December 2006

Computational Insights into Five- versus Six-Coordinate Iron Center in Ferrous Soybean Lipoxygenase

scientific article published on 19 August 2016

Computational approach for ranking mutant enzymes according to catalytic reaction rates

scientific article published on March 2009

Dependence of Vibronic Coupling on Molecular Geometry and Environment: Bridging Hydrogen Atom Transfer and Electron-Proton Transfer

scientific article

Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: conditions for inverted region behavior

scientific article published on November 2009

Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies

scientific article published on 25 April 2016

Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model

scientific article published in May 2014

Electrochemical proton-coupled electron transfer of an osmium aquo complex: theoretical analysis of asymmetric tafel plots and transfer coefficients

scientific article published in February 2010

Enhanced Rigidification within a Double Mutant of Soybean Lipoxygenase Provides Experimental Support for Vibronically Nonadiabatic Proton-Coupled Electron Transfer Models

scientific article published on 20 April 2017

Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase

scientific article published on October 2006

Extremely Elevated Room-Temperature Kinetic Isotope Effects Quantify the Critical Role of Barrier Width in Enzymatic C–H Activation

scientific article

Fundamental Insights into Proton-Coupled Electron Transfer in Soybean Lipoxygenase from Quantum Mechanical/Molecular Mechanical Free Energy Simulations

scientific article published on 2 February 2018

Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: analysis of hydrogen bonding, conformational motions, and electrostatics

scientific article published on November 2009

Hydrogen bonding pathways in human dihydroorotate dehydrogenase

scientific article published in October 2006

Impact of Mutations on the Binding Pocket of Soybean Lipoxygenase: Implications for Proton-Coupled Electron Transfer

scientific article published on 29 October 2018

Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase

scientific article

Implementation of umbrella integration within the framework of the empirical valence bond approach

scientific article published in January 2008

Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production

scientific article (publication date: 25 September 2012)

Isotope Effects on the Nonequilibrium Dynamics of Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution

scientific article published on 17 December 2010

Kinetics of Proton Discharge on Metal Electrodes: Effects of Vibrational Nonadiabaticity and Solvent Dynamics

scientific article published on 28 August 2019

Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces

scientific article published in June 2008

Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms

scientific article published in October 2011

Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales

scientific article published on January 2014

Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

scientific article published on 8 January 2015

Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: comparison of explicit and implicit solvent simulations

scientific article published on 25 June 2012

Nonadiabatic proton-coupled electron transfer reactions: impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates

scientific article published in October 2005

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

scientific article

Photoinduced homogeneous proton-coupled electron transfer: model study of isotope effects on reaction dynamics

scientific article published in October 2009

Photoinduced proton-coupled electron transfer of hydrogen-bonded p-nitrophenylphenol-methylamine complex in solution

scientific article

Probing Nonadiabaticity in the Proton-Coupled Electron Transfer Reaction Catalyzed by Soybean Lipoxygenase

scientific article published on 4 September 2014

Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope Effects

scientific article published on 03 January 2019

Proton-coupled electron transfer in solution, proteins, and electrochemistry

scientific article published on 09 October 2008

Proton-coupled electron transfer in soybean lipoxygenase

scientific article published in May 2004

Proton-coupled electron transfer in soybean lipoxygenase: dynamical behavior and temperature dependence of kinetic isotope effects

scientific article published in January 2007

Proton-coupled electron transfer reactions: analytical rate constants and case study of kinetic isotope effects in lipoxygenase

scientific article published on 13 October 2016

Role of Proton Diffusion in the Nonexponential Kinetics of Proton-Coupled Electron Transfer from Photoreduced ZnO Nanocrystals

scientific article published on 19 September 2017

Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution

scientific article published in September 2010

Theoretical Description of the Primary Proton-Coupled Electron Transfer Reaction in the Cytochrome <i>bc</i><sub>1</sub> Complex

scientific article published on 05 January 2021

Theoretical Insights into Proton-Coupled Electron Transfer from a Photoreduced ZnO Nanocrystal to an Organic Radical

scientific article published on 28 August 2017

Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics

scientific article published on February 2008

Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer

scientific article published on 01 July 2019

Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation

scientific article

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