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Alexei A. Stuchebrukhov
Researcher at University of California, Davis
Publications - 145
Citations - 5882
Alexei A. Stuchebrukhov is an academic researcher from University of California, Davis. The author has contributed to research in topics: Electron transfer & Electron. The author has an hindex of 40, co-authored 140 publications receiving 5433 citations. Previous affiliations of Alexei A. Stuchebrukhov include Spanish National Research Council & California State Polytechnic University, Pomona.
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Journal ArticleDOI
Theory of Coupled Electron and Proton Transfer Reactions
TL;DR: The general theories and models of coupled electron transfer/proton transfer (ET/PT) reactions are discussed and a simple four-state model of reactions where the proton moves across a single hydrogen bond is considered.
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Accounting for electronic polarization in non-polarizable force fields
TL;DR: This model explains why a neglect of electronic solvation energy in non-polarizable simulations with un-scaled charges can produce a correct result, and provides important insights into the nature of the effective parameters, which is crucial when the computational models of liquid water are used for simulations in different environments, such as proteins, or for interaction with solutes.
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Accounting for electronic polarization in nonpolarizable force fields
TL;DR: In this article, it was shown that the effective dipole of water can be understood as a scaled value of the dielectric constant of water, where ε = 1.78 is the electronic (high-frequency) dielectoric constant.
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Theoretical study of intramolecular vibrational relaxation of acetylenic CH vibration for v=1 and 2 in large polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si
TL;DR: In this article, a model of intramolecular vibrational relaxation based on the assumption of sequential off-resonance transitions via third and fourth order vibrational couplings is proposed.
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Electronic continuum model for molecular dynamics simulations
TL;DR: Using the molecular dynamics electronic continuum (MDEC) model, recent calculations of dielectric constants of alcohols and alkanes are discussed, and it is shown that the MDEC results are comparable with those obtained with the polarizable Drude oscillator model.