Anton B. Zakharov
TitleCited byYear
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
82014
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
72013
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
52011
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
Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons
AB Zakharov, AV Dyachenko, VV Ivanov
Journal of Chemometrics, e3169, 2019
12019
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
2019
On accurate high-order numerical derivatives computations for quantum chemistry purposes
AB Zakharov, VV Ivanov
VN Karazin Kharkiv National University Bulletin. Chemical series, 36-49, 2018
2018
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
2015
ELECTRON CORRELATIONS AND π-ELECTRON RESPONSE PROPERTIES FOR LARGE CONJUGATED SYSTEMS
AB Zakharov, VV Ivanov, AV Luzanov
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Articles 1–9