Andriy Kovalenko
16PUBLICATIONS
8CO-AUTHORS
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Publications (16)
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|Oct 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory.Dipankar Roy, Andriy Kovalenko
|Jan 12, 2022
Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts".Andriy Kovalenko, Vladimir Neburchilov
|Jan 07, 2022
Computational Investigation of the Metal and Ligand Substitution Effects on the Structure and Electronic States of the Phosphoranimide Tetramer Complexes of Cu(I), Ni(I), Co(I), and Fe(I).Faustine Spillebout, Stanislav R Stoyanov, Oleksandr Zelyak
|Jun 02, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory.Dipankar Roy, Andriy Kovalenko
|Feb 26, 2021
Cloning and high-level expression of monomeric human superoxide dismutase 1 (SOD1) and its interaction with pyrimidine analogs.Marcia LeVatte, Matthias Lipfert, Dipankar Roy
|Jan 04, 2021
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?Dipankar Roy, Devjyoti Dutta, David S Wishart
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