Personal information

Verified email domains

Activities

Employment (1)

V. N. Karazin Kharkiv National University: Kharkiv, UA

prof (Materials Chemistry Department)
Employment
Source: Self-asserted source
Vladimir Ivanov

Works (50 of 74)

Items per page:
Page 1 of 2

Linear Regression Models and Adequacy Parameters for Scattered Data with Outliers

Methods and Objects of Chemical Analysis
2024 | Journal article
Part of ISSN: 1991-0290
Part of ISSN: 2413-6166
Contributors: V. N. Karazin Kharkiv National University, Kharkiv, Ukraine; A. V. Panteleimonov; D. O. Anokhin; V. N. Karazin Kharkiv National University, Kharkiv, Ukraine; A. B. Zakharov; V. N. Karazin Kharkiv National University, Kharkiv, Ukraine; I. V. Khristenko; V. N. Karazin Kharkiv National University, Kharkiv, Ukraine; A. I. Korobov; V. N. Karazin Kharkiv National University, Kharkiv, Ukraine et al.
Source: Self-asserted source
Vladimir Ivanov

Towards the computational design of organic molecules with specified properties

Structural Chemistry
2024-12-26 | Journal article
Contributors: Anton B. Zakharov; Mariia Kyrpa; Alexander V. Kyrychenko; Sergiy M. Kovalenko; Oleg N. Kalugin; Volodymyr V. Ivanov; Ludwik Adamowicz
Source: check_circle
Crossref

Design of non-covalent dual-acting inhibitors for proteases MPRO and PLPRO of coronavirus SARS-CoV-2 through evolutionary library generation, pharmacophore profile matching, and molecular docking calculations

ScienceRise: Pharmaceutical Science
2024-11-19 | Journal article
Contributors: Лариса Валентинівна Євсєєва; Павло Вікторович Тростянко; Олександр Васильович Кириченко; Володимир Венедиктович Іванов; Сергій Миколайович Коваленко; Олег Миколайович Калугін
Source: check_circle
Crossref

DEVELOPING NEW DUAL-ACTION ANTIVIRAL/ANTI-INFLAMMATORY SMALL MOLECULES FOR COVID-19 TREATMENT USING IN SILICO AND IN-VITRO APPROACHES

2024-11-11 | Preprint
Contributors: Vladimir V. Ivanov; Anton B. Zakharov; Dmytro O. Anokhin; Olha O. Mykhailenko; Sergiy M. Kovalenko; Larysa V. Yevsieieva; Victoriya A. Georgiyants; Michal Korinek; Yu-Li Chen; Shu-Yen Fang et al.
Source: check_circle
Crossref

Main and papain-like proteases as prospective targets for pharmacological treatment of coronavirus SARS-CoV-2

RSC Advances
2023 | Journal article
Part of ISSN: 2046-2069
Contributors: Larysa V. Yevsieieva; Kateryna O. Lohachova; Alexander Kyrychenko; Sergiy M. Kovalenko; Volodymyr V. Ivanov; Oleg Kalugin
Source: Self-asserted source
Vladimir Ivanov

Recent advances in computational drug discovery for therapy against coronavirus SARS-CoV-2

ScienceRise: Pharmaceutical Science
2023-12-31 | Journal article
Contributors: Володимир Венедиктович Іванов; Катерина Олегівна Логачова; Ярослав Валентинович Колесник; Антон Борисович Захаров; Лариса Валентинівна Євсєєва; Олександр Васильович Кириченко; Thierry Langer; Сергій Миколайович Коваленко; Олег Миколайович Калугін
Source: check_circle
Crossref

Internal validation parameters of linear regression equations in QSAR problem

Kharkov University Bulletin Chemical Series
2023-05-19 | Journal article
Contributors: Inna Khristenko; Volodymyr Ivanov
Source: check_circle
Crossref

Synthesis, analysis of molecular and crystal structures, estimation of intermolecular interactions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one

Acta Crystallographica Section E Crystallographic Communications
2023-03-01 | Journal article
Part of ISSN: 2056-9890
Contributors: Yevhenii A. Vaksler; Halyna V. Hryhoriv; Vladimir V. Ivanov; Sergiy M. Kovalenko; Victoriya A. Georgiyants; Thierry Langer
Source: Self-asserted source
Vladimir Ivanov

Nile Red solvatochromy. TD-DFT calculations and experimental data

Kharkov University Bulletin Chemical Series
2022-10-05 | Journal article
Contributors: Inna Khristenko; Volodymyr Ivanov
Source: check_circle
Crossref

Robust evaluation of regression parameters. The fuzzy theory and other models

Kharkov University Bulletin Chemical Series
2022-06-27 | Journal article
Contributors: Anton Panteleimonov; Dmytro Anokhin; Volodymyr Ivanov
Source: check_circle
Crossref

Topological characteristics of iterated line graphs in the QSAR problem: a multigraph in the description of properties of unsaturated hydrocarbons

Structural Chemistry
2021-08-09 | Journal article
Contributors: Anton B. Zakharov; Dmytro K. Tsarenko; Vladimir V. Ivanov
Source: check_circle
Crossref

Quantum-chemical calculations of electronic spectra absorption: ab initio or semiempirical methods?

Kharkov University Bulletin Chemical Series
2021-03-29 | Journal article
Contributors: Volodymyr Ivanov; Pavlo Trostianko; Sergiy Kovalenko; Anastasia Volodchenko; Tetyana Chernozhuk; Darya Stepaniuk; Oleg Kalugin
Source: check_circle
Crossref

Recent advances in theoretical investigation of titanium dioxide nanomaterials. A review

Kharkov University Bulletin Chemical Series
2020 | Journal article
Part of ISSN: 2220-6396
Part of ISSN: 2220-637X
Source: Self-asserted source
Vladimir Ivanov

A Novel Series of [1,2,4]Triazolo[4,3-a]Pyridine Sulfonamides as Potential Antimalarial Agents: In Silico Studies, Synthesis and In Vitro Evaluation

Molecules
2020-09-30 | Journal article
Contributors: Veronika R. Karpina; Svitlana S. Kovalenko; Sergiy M. Kovalenko; Oleksandr G. Drushlyak; Natalya D. Bunyatyan; Victoriya A. Georgiyants; Vladimir V. Ivanov; Thierry Langer; Louis Maes
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies

Molecules
2020-09-16 | Journal article
Part of ISSN: 1420-3049
Contributors: Kovalenko Sergiy Mykolayovych; Oleksandr G. Drushlyak; Svitlana V. Shishkina; Irina S. Konovalova; Illia Mariutsa; Natalya D. Bunyatyan; Dmitry V. Kravchenko; Vladimir V. Ivanov; Alexandre V. Ivachtchenko; Thierry Langer
Source: Self-asserted source
Vladimir Ivanov

Electronic perturbation effects in the presence of electric field for π‐conjugated systems: An electron‐correlation study

International Journal of Quantum Chemistry
2020-08-15 | Journal article
Contributors: Anton B. Zakharov; Vladimir V. Ivanov; Ludwik Adamowicz
Source: check_circle
Crossref

Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate

Acta Crystallographica Section E Crystallographic Communications
2020-01-01 | Journal article
Part of ISSN: 2056-9890
Contributors: Alexandre V. Ivachtchenko; Kovalenko Sergiy Mykolayovych; Dmitry V. Kravchenko; Oleg D. Mitkin; Vladimir V. Ivanov; Thierry Langer
Source: Self-asserted source
Vladimir Ivanov

A new approach in topological descriptors usage. Iterated line graphs in the theoretical prediction of physico-chemical properties of saturated hydrocarbons

Kharkov University Bulletin Chemical Series
2019 | Journal article
Part of ISSN: 2220-6396
Part of ISSN: 2220-637X
Source: Self-asserted source
Vladimir Ivanov

Application Of L1- Regularization Approach In QSAR Problem. Linear Regression And Artificial Neural Networks

Methods and Objects of Chemical Analysis
2019 | Journal article
Part of ISSN: 2413-6166
Part of ISSN: 1991-0290
Source: Self-asserted source
Vladimir Ivanov

Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons

Journal of Chemometrics
2019 | Journal article
EID:

2-s2.0-85069801146

Contributors: Zakharov, A.B.; Dyachenko, A.V.; Ivanov, V.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier
grade
Preferred source (of 2)‎

Synthesis, Single Crystal X-Ray Analysis, Prediction and Study of Pharmacological Activity of 4-(1H-Benzo[d]imidazol-2-yl)-1-Phenyl-1H-1,2,3-triazol-5-Amine and Its Solvates

Crystals
2019-12-05 | Journal article
Part of ISSN: 2073-4352
Contributors: Alexandre V. Ivachtchenko; Oleg D. Mitkin; Dmitry V. Kravchenko; Kovalenko Sergiy Mykolayovych; Svitlana V. Shishkina; Natalya D. Bunyatyan; Irina S. Konovalova; Vladimir V. Ivanov; Olena D. Konovalova; Thierry Langer
Source: Self-asserted source
Vladimir Ivanov

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate

Heliyon
2019-11 | Journal article
Part of ISSN: 2405-8440
Source: Self-asserted source
Vladimir Ivanov

The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8

Žurnal organìčnoï ta farmacevtičnoï hìmìï
2019-08-28 | Journal article
Part of ISSN: 2518-1548
Part of ISSN: 2308-8303
Source: Self-asserted source
Vladimir Ivanov

Dissociation Constants of Silanol Groups of Silic Acids: Quantum Chemical Estimations

Journal of Structural Chemistry
2018 | Journal article
EID:

2-s2.0-85048078917

Contributors: Onizhuk, M.O.; Panteleimonov, A.V.; Kholin, Y.V.; Ivanov, V.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Heterogeneous polarity and surface acidity of silica-organic materials with fixed 1-n-propyl-3-methylimidazolium chloride as probed by solvatochromic and fluorescent dyes

Colloids and Surfaces A: Physicochemical and Engineering Aspects
2018 | Journal article
EID:

2-s2.0-85033381920

Contributors: Khristenko, I.V.; Panteleimonov, A.V.; Iliashenko, R.Y.; Doroshenko, A.O.; Ivanov, V.V.; Tkachenko, O.S.; Benvenutti, E.V.; Kholin, Y.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Alternative methods for constructing of linear regressions

Methods and Objects of Chemical Analysis
2017 | Journal article
EID:

2-s2.0-85044188467

Contributors: Onizhuk, M.O.; Ivanov, V.V.; Panteleimonov, A.V.; Kholin, Yu.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

L <inf>1</inf> -regularisation of the coupled-cluster solutions

Molecular Physics
2017 | Journal article
EID:

2-s2.0-85026888318

Contributors: Ivanov, V.V.; Berdnyk, M.I.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Optical parameters of Π-conjugated oligomer chains from the semiempirical local coupled-cluster theory

Practical Aspects of Computational Chemistry IV
2016 | Book chapter
EID:

2-s2.0-85025450611

Contributors: Zakharov, A.B.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Discontinuities-free complete-active-space state-specific multi-reference coupled cluster theory for describing bond stretching and dissociation

journal of chemical physics
2015 | Journal article
Source: Self-asserted source
Vladimir Ivanov

π-Electron Calculations Using the Local Linear-Response Coupled-Cluster Singles and Doubles Theory

Journal of Physical Chemistry C
2015 | Journal article
EID:

2-s2.0-84953775015

Contributors: Zakharov, A.B.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Molecular nonlinear optical parameters of π-conjugated nonalternant hydrocarbons obtained in semiempirical local coupled-cluster theory

Journal of Physical Chemistry C
2014 | Journal article
EID:

2-s2.0-84899014565

Contributors: Zakharov, A.B.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Identification of water samples from different springs and rivers of Kharkiv: Comparison of methods for multivariate data analysis

Moscow University Chemistry Bulletin
2013 | Journal article
EID:

2-s2.0-84875978157

Contributors: Pushkarova, Y.N.; Sledzevskaya, A.B.; Panteleimonov, A.V.; Titova, N.P.; Yurchenko, O.I.; Ivanov, V.V.; Kholin, Y.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the local π-electron coupled cluster theory

Molecular Physics
2013 | Journal article
EID:

2-s2.0-84890218883

Contributors: Ivanov, V.V.; Zakharov, A.B.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Quantum chemical calculations for the hydration of model silica modified by aliphatic amines

Russian Journal of Physical Chemistry A
2012 | Journal article
EID:

2-s2.0-84856204283

Contributors: Baraban, A.Y.; Ivanov, V.V.; Khristenko, I.V.; Kholin, Y.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

A simple orbital basis set for π electron calculations of the polarizabilities and hyperpolarizabilities of conjugated systems

Journal of Structural Chemistry
2011 | Journal article
EID:

2-s2.0-80054726670

Contributors: Zakharov, A.B.; Ivanov, V.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

State-specific multireference coupled-cluster theory of molecular electronic excited states

Annual Reports on the Progress of Chemistry - Section C
2011 | Journal article
EID:

2-s2.0-80052097558

Contributors: Ivanov, V.V.; Lyakh, D.I.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

A calculation of spectroscopic parameters for hydrogen fluoride with multi-reference state-specific coupled-cluster method

Chemical Physics Letters
2010 | Journal article
EID:

2-s2.0-77954219168

Contributors: Klimenko, T.A.; Ivanov, V.V.; Lyakh, D.I.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Potential energy surfaces of the ground and excited states of <sup>11</sup>BH molecule in the multireference coupled cluster theory

Ukrainian Journal of Physics
2010 | Journal article
EID:

2-s2.0-77954365476

Contributors: Klimenko, T.A.; Ivanov, V.V.; Lyakh, D.I.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Dipole polarizabilities and hyperpolarizabilities of the small conjugated systems in the π-electron coupled cluster theory

Molecular Physics
2009 | Journal article
EID:

2-s2.0-68949132644

Contributors: Klimenko, T.A.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives

Physical Chemistry Chemical Physics
2009 | Journal article
EID:

2-s2.0-67649240424

Contributors: Ivanov, V.V.; Lyakh, D.I.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states

Journal of Chemical Physics
2008 | Journal article
EID:

2-s2.0-39749112706

Contributors: Lyakh, D.I.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Effect of the solvent on the absorption spectra and protonation of fluorescein dye anions

Russian Journal of Physical Chemistry A
2007 | Journal article
EID:

2-s2.0-33846121929

Contributors: Mchedlov-Petrossyan, N.O.; Ivanov, V.V.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: Dissociation of the N2 molecule

Molecular Physics
2007 | Journal article
EID:

2-s2.0-34547842539

Contributors: Lyakh, D.I.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Dissociation of the fluorine molecule: CASCCSD method and other many-particle models

International Journal of Quantum Chemistry
2006 | Journal article
EID:

2-s2.0-33750899082

Contributors: Ivanov, V.V.; Adamowicz, L.; Lyakh, D.I.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference

Journal of Chemical Physics
2006 | Journal article
EID:

2-s2.0-34547139721

Contributors: Ivanov, V.V.; Adamowicz, L.; Lyakh, D.I.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Multireference state-specific coupled cluster approach with the CAS reference: Inserting Be into H<inf>2</inf>

Theoretical Chemistry Accounts
2006 | Journal article
EID:

2-s2.0-33747865373

Contributors: Lyakh, D.I.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Potential energy surface of the electron excited states in the state-specific multi-reference coupled cluster theory. Hydrogen fluoride dissociation

Journal of Molecular Structure: THEOCHEM
2006 | Journal article
EID:

2-s2.0-33748527492

Contributors: Ivanov, V.V.; Adamowicz, L.; Lyakh, D.I.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference

Journal of Chemical Physics
2005 | Journal article
EID:

2-s2.0-22944466115

Contributors: Lyakh, D.I.; Ivanov, V.V.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

Multireference state-specific coupled-cluster theory and multiconfigurationality index. BH dissociation

Collection of Czechoslovak Chemical Communications
2005 | Journal article
EID:

2-s2.0-27144512910

Contributors: Ivanov, V.V.; Adamowicz, L.; Lyakh, D.I.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier

New indices for describing the multi-configurational nature of the coupled cluster wave function

Molecular Physics
2005 | Journal article
EID:

2-s2.0-27844541376

Contributors: Ivanov, V.V.; Lyakh, D.I.; Adamowicz, L.
Source: Self-asserted source
Vladimir Ivanov via Scopus - Elsevier
Items per page:
Page 1 of 2