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Sergey Gusarov

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Materials (Basel, Switzerland)|May 11, 2024
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent DevelopmentsSergey Gusarov
Journal of Molecular Modeling|November 6, 2021
Comment on "Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and Fe<sub>3</sub>O<sub>4</sub>-based nanocatalysts"Sergey Gusarov
Physical Chemistry Chemical Physics : PCCP|October 3, 2017
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamicsAndriy Kovalenko, Sergey Gusarov
The Journal of Physical Chemistry Letters|October 26, 2020
COSMO-RS-Based Descriptors for the Machine Learning-Enabled Screening of Nucleotide Analogue Drugs against SARS-CoV-2Sergey Gusarov, Stanislav R Stoyanov
Physical Chemistry Chemical Physics : PCCP|June 2, 2025
First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitionsMosayeb Naseri, Shahram Yalameha, Sergey Gusarov
Biophysical Journal|October 24, 2006
Microtubule stability studied by three-dimensional molecular theory of solvationPiotr Drabik, Sergey Gusarov, Andriy Kovalenko
The Journal of Physical Chemistry. A|May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional packageSergey Gusarov, Tom Ziegler, Andriy Kovalenko
Journal of Computational Chemistry|April 24, 2012
Efficient treatment of solvation shells in 3D molecular theory of solvationSergey Gusarov, Bhalchandra S Pujari, Andriy Kovalenko
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 24, 2016
A closure relation to molecular theory of solvation for macromoleculesAlexander E Kobryn, Sergey Gusarov, Andriy Kovalenko
Polymers|April 14, 2019
The Effect of Molecular Structure and Environment on the Miscibility and Diffusivity in Polythiophene-Methanofullerene Bulk Heterojunctions: Theory and Modeling with the RISM ApproachAlexander E Kobryn, Sergey Gusarov, Karthik Shankar
Pageof 4

Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
Materials (Basel, Switzerland)|May 11, 2024
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent DevelopmentsSergey Gusarov
Journal of Molecular Modeling|November 6, 2021
Comment on "Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and Fe<sub>3</sub>O<sub>4</sub>-based nanocatalysts"Sergey Gusarov
Physical Chemistry Chemical Physics : PCCP|October 3, 2017
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamicsAndriy Kovalenko, Sergey Gusarov
The Journal of Physical Chemistry Letters|October 26, 2020
COSMO-RS-Based Descriptors for the Machine Learning-Enabled Screening of Nucleotide Analogue Drugs against SARS-CoV-2Sergey Gusarov, Stanislav R Stoyanov
Physical Chemistry Chemical Physics : PCCP|June 2, 2025
First-principles investigation of a two-dimensional magnesium carbide monolayer: tunable bandgap, light carriers, and strain-induced topological and semiconductor-to-metal transitionsMosayeb Naseri, Shahram Yalameha, Sergey Gusarov
Biophysical Journal|October 24, 2006
Microtubule stability studied by three-dimensional molecular theory of solvationPiotr Drabik, Sergey Gusarov, Andriy Kovalenko
The Journal of Physical Chemistry. A|May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional packageSergey Gusarov, Tom Ziegler, Andriy Kovalenko
Journal of Computational Chemistry|April 24, 2012
Efficient treatment of solvation shells in 3D molecular theory of solvationSergey Gusarov, Bhalchandra S Pujari, Andriy Kovalenko
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 24, 2016
A closure relation to molecular theory of solvation for macromoleculesAlexander E Kobryn, Sergey Gusarov, Andriy Kovalenko
Polymers|April 14, 2019
The Effect of Molecular Structure and Environment on the Miscibility and Diffusivity in Polythiophene-Methanofullerene Bulk Heterojunctions: Theory and Modeling with the RISM ApproachAlexander E Kobryn, Sergey Gusarov, Karthik Shankar
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