Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons AB Zakharov, AV Dyachenko, VV Ivanov
Journal of Chemometrics 33 (9), e3169, 2019
13 2019 Molecular nonlinear optical parameters of π-conjugated nonalternant hydrocarbons obtained in semiempirical local coupled-cluster theory AB Zakharov, VV Ivanov, L Adamowicz
The Journal of Physical Chemistry C 118 (15), 8111-8121, 2014
13 2014 Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the local π-electron coupled cluster theory VV Ivanov, AB Zakharov, L Adamowicz
Molecular Physics 111 (24), 3779-3792, 2013
10 2013 Topological characteristics of iterated line graphs in the QSAR problem: A multigraph in the description of properties of unsaturated hydrocarbons AB Zakharov, DK Tsarenko, VV Ivanov
Structural Chemistry 32 (4), 1629-1639, 2021
6 2021 A simple orbital basis set for π electron calculations of the polarizabilities and hyperpolarizabilities of conjugated systems AB Zakharov, VV Ivanov
Journal of Structural Chemistry 52 (4), 645-651, 2011
6 2011 A new approach in topological descriptors usage. Iterated line graphs in the theoretical prediction of physico-chemical properties of saturated hydrocarbons AB Zakharov, VV Ivanov
Kharkiv University Bulletin. Chemical Series, 38-45, 2019
5 2019 Optical Parameters of AB Zakharov, VV Ivanov, L Adamowicz
Practical Aspects of Computational Chemistry IV, 57-102, 2016
5 2016 π-Electron Calculations Using the Local Linear-Response Coupled-Cluster Singles and Doubles Theory AB Zakharov, VV Ivanov, L Adamowicz
The Journal of Physical Chemistry C 119 (52), 28737-28748, 2015
2 2015 Electronic perturbation effects in the presence of electric field for π‐conjugated systems: An electron‐correlation study AB Zakharov, VV Ivanov, L Adamowicz
International Journal of Quantum Chemistry 120 (16), e26260, 2020
1 2020 Application of L MI Berdnyk, AB Zakharov, VV Ivanov
Methods 14 (2), 79-90, 2019
1 2019 On accurate high-order numerical derivatives computations for quantum chemistry purposes AB Zakharov, VV Ivanov
Вісник Харківського національного університету імені ВН Каразіна. Серія …, 2018
1 2018 Recent advances in computational drug discovery for therapy against coronavirus SARS-CoV-2 V Ivanov, K Lohachova, Y Kolesnik, A Zakharov, L Yevsieieva, ...
ScienceRise: Pharmaceutical Science, 2023
2023 VALIDATION OF PHARMACOPHORE MODELS IN VIRTUAL SCREEN-ING OF BIOLOGICALLY ACTIVE MOLECULES SM Kovalenko, LV Yevsieieva, KO Lohachova, YV Kolesnik, AB Zakharov, ...
Реєстраційне посвідчення в Укр ІНТЕІ № 555 від 19 грудня 2022 р., 198, 2023
2023 Peculiarities of solvatochromism of 4-[[(2, 4-dinitrophenyl) methylene] imino-2, 6-diphenyl] phenol and Reichardt’s dye. DFT calculations Y Serhieieva, A Zakharov, S Kiyko
Kharkiv University Bulletin. Chemical Series, 23-30, 2022
2022 ELECTRON CORRELATIONS AND π-ELECTRON RESPONSE PROPERTIES FOR LARGE CONJUGATED SYSTEMS AB Zakharov, VV Ivanov, AV Luzanov
Vladimir V. IvanovV. N. Karazin Kharkiv National UniversityПодтвержден адрес электронной почты в домене karazin.ua
