Anton B. Zakharov
Anton B. Zakharov
Verified email at karazin.ua
Title
Cited by
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
92014
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
82013
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
72019
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
On accurate high-order numerical derivatives computations for quantum chemistry purposes
AB Zakharov, VV Ivanov
³ . , 2018
12018
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
12015
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, 1-11, 2021
2021
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
2020
Application of L 1-regularization approach in QSAR problem. Linear regression and artificial neural networks
MI Berdnyk, AB Zakharov, VV Ivanov
Methods and Objects of Chemical Analysis 14 (2), 79-90, 2019
2019
ELECTRON CORRELATIONS AND π-ELECTRON RESPONSE PROPERTIES FOR LARGE CONJUGATED SYSTEMS
AB Zakharov, VV Ivanov, AV Luzanov
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