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Journal of Computational Chemistry
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January 16, 2026
Atomic Charges via Gradient Boosting: Development and Application for Solvation Energies in Organic Solvents
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
April 19, 2025
Atomic Neural Network for Calculation of Solvation Free Energies in Organic Solvents
Sergei F Vyboishchikov
Journal of Chemical Theory and Computation
|
November 14, 2023
Predicting Solvation Free Energies Using Electronegativity-Equalization Atomic Charges and a Dense Neural Network: A Generalized-Born Approach
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
August 11, 2015
Modeling exact exchange potential in spherically confined atoms
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
October 13, 2016
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
Sergei F Vyboishchikov
Journal of Chemical Information and Modeling
|
September 29, 2023
Dense Neural Network for Calculating Solvation Free Energies from Electronegativity-Equalization Atomic Charges
Sergei F Vyboishchikov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 5, 2017
A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
May 19, 2022
A quick solvation energy estimator based on electronegativity equalization
Sergei F Vyboishchikov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 25, 2011
Hydrogen motion in proton sponge cations: a theoretical study
Yevhen Horbatenko, Sergei F Vyboishchikov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 20, 2005
Ring-closing olefin metathesis on ruthenium carbene complexes: model DFT study of stereochemistry
Sergei F Vyboishchikov, Walter Thiel
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
January 16, 2026
Atomic Charges via Gradient Boosting: Development and Application for Solvation Energies in Organic Solvents
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
April 19, 2025
Atomic Neural Network for Calculation of Solvation Free Energies in Organic Solvents
Sergei F Vyboishchikov
Journal of Chemical Theory and Computation
|
November 14, 2023
Predicting Solvation Free Energies Using Electronegativity-Equalization Atomic Charges and a Dense Neural Network: A Generalized-Born Approach
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
August 11, 2015
Modeling exact exchange potential in spherically confined atoms
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
October 13, 2016
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
Sergei F Vyboishchikov
Journal of Chemical Information and Modeling
|
September 29, 2023
Dense Neural Network for Calculating Solvation Free Energies from Electronegativity-Equalization Atomic Charges
Sergei F Vyboishchikov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 5, 2017
A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density
Sergei F Vyboishchikov
Journal of Computational Chemistry
|
May 19, 2022
A quick solvation energy estimator based on electronegativity equalization
Sergei F Vyboishchikov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 25, 2011
Hydrogen motion in proton sponge cations: a theoretical study
Yevhen Horbatenko, Sergei F Vyboishchikov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 20, 2005
Ring-closing olefin metathesis on ruthenium carbene complexes: model DFT study of stereochemistry
Sergei F Vyboishchikov, Walter Thiel
Page
of 4