Anton B. Zakharov
Anton B. Zakharov
Подтвержден адрес электронной почты в домене karazin.ua
Название
Процитировано
Процитировано
Год
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
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, 2011
62011
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
32019
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
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
VN Karazin Kharkiv National University Bulletin. Chemical series, 38-45, 2019
22019
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
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, 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
On accurate high-order numerical derivatives computations for quantum chemistry purposes
AB Zakharov, VV Ivanov
Вісник Харківського національного університету імені ВН Каразіна. Серія …, 2018
2018
ELECTRON CORRELATIONS AND π-ELECTRON RESPONSE PROPERTIES FOR LARGE CONJUGATED SYSTEMS
AB Zakharov, VV Ivanov, AV Luzanov
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Статьи 1–11