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Anton B. Zakharov
Anton B. Zakharov
Verified email at karazin.ua
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Cited by
Year
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
122014
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
102019
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
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
32016
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
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
2021
APPLICATION OF L1-REGULARIZATION APPROACH IN QSAR PROBLEM. LINEAR REGRESSION AND ARTIFICIAL NEURAL NETWORKS
MI BERDNYK, AB ZAKHAROV, VV IVANOV
ELECTRON CORRELATIONS AND π-ELECTRON RESPONSE PROPERTIES FOR LARGE CONJUGATED SYSTEMS
AB Zakharov, VV Ivanov, AV Luzanov
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