E
Eugene O. Voronkov
Researcher at Dnipropetrovsk National University of Railway Transport named after Academician V. Lazaryan
Publications - 14
Citations - 79
Eugene O. Voronkov is an academic researcher from Dnipropetrovsk National University of Railway Transport named after Academician V. Lazaryan. The author has contributed to research in topics: Basis set & Chemical shift. The author has an hindex of 5, co-authored 13 publications receiving 72 citations. Previous affiliations of Eugene O. Voronkov include Jackson State University & Oles Honchar Dnipropetrovsk National University.
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Novel physically adapted STO##‐3G basis sets. Efficiency for prediction of second‐order electric and magnetic properties of aromatic hydrocarbons
Eugene O. Voronkov,Vladimir V. Rossikhin,Sergiy I. Okovytyy,A. Shatckih,V. Bolshakov,Jerzy Leszczynski +5 more
TL;DR: In this article, an efficient scheme for construction of physically justified STO-3Gel and STO##3Gmag basis sets has been proposed based upon the analysis of analytical form of the first-order correction functions to unperturbed STO basis sets under the perturbation by electric or magnetic fields.
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An Investigation of the 17O NMR Chemical Shifts in Oxiranes Using Magnetically Corrected Basis Sets
Vladimir V. Rossikhin,Sergey I. Okovytyy,Lilija I. Kasyan,Eugene O. Voronkov,Ludmila K. Umrikhina,Jerzy Leszczynski +5 more
TL;DR: In this paper, the results of theoretical and experimental investigation of 17O NMR chemical shifts for a number of epoxidic compounds are reported using the GIAO and CSGT methods within the coupled Hartree−Fock perturbation theory.
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The performance of the new 6-31G(##) basis set: molecular structures and vibrational frequencies of transition metal carbonyls.
Vladimir I. Bolshakov,Vladimir V. Rossikhin,Eugene O. Voronkov,Sergiy I. Okovytyy,Jerzy Leszczynski +4 more
TL;DR: The predicted values of bond distances and vibrational frequencies for the title compounds are in good agreement with the experimental data.
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QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors
Karina Kapusta,Natalia Sizochenko,Sedat Karabulut,Sergiy I. Okovytyy,Sergiy I. Okovytyy,Eugene O. Voronkov,Jerzy Leszczynski +6 more
TL;DR: The specific quantum chemical descriptors proposed here demonstrated high specificity in the majority of the developed models and established direct quantitative structure–property relationships.
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Accurate calculations of second-order electric and magnetic properties: Two ways of physically justified modifications of basis sets
TL;DR: In this paper, second-order electric and magnetic properties calculated using an approach based upon the simultaneous analytical dependence of the bond order matrix and basis set functions on the corresponding perturbation parameters have been obtained and analyzed for a series of organic molecules.