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Anton B. Zakharov
Anton B. Zakharov
Verified email at karazin.ua
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Cited by
Year
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
132019
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
132014
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
102013
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
62021
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
62011
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
52019
Optical Parameters of -Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory
AB Zakharov, VV Ivanov, L Adamowicz
Practical Aspects of Computational Chemistry IV, 57-102, 2016
52016
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
22015
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
12020
Application of L
MI Berdnyk, AB Zakharov, VV Ivanov
Methods 14 (2), 79-90, 2019
12019
On accurate high-order numerical derivatives computations for quantum chemistry purposes
AB Zakharov, VV Ivanov
³ . , 2018
12018
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, ...
Ų 555 19 2022 ., 198, 2023
2023
Peculiarities of solvatochromism of 4-[[(2, 4-dinitrophenyl) methylene] imino-2, 6-diphenyl] phenol and Reichardts 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
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