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Yury Minenkov
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2020 – today
- 2024
- [j5]Alexander S. Ryzhako, Anna A. Tuma, Arseniy A. Otlyotov
, Yury Minenkov
:
An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies. J. Comput. Chem. 45(32): 3004-3016 (2024) - 2023
- [j4]Yury Minenkov
, Luigi Cavallo
, Kirk A. Peterson
:
Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compounds. J. Comput. Chem. 44(5): 687-696 (2023) - [j3]Maxim A. Maltsev
, Svetlana A. Aksenova
, Igor V. Morozov
, Yury Minenkov
, Evgenia L. Osina:
Ab initio calculations of the interaction potentials and thermodynamic functions for ArN and ArN+. J. Comput. Chem. 44(12): 1189-1198 (2023) - [j2]Arseniy A. Otlyotov
, Yury Minenkov
:
Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies. J. Comput. Chem. 44(22): 1807-1816 (2023) - 2022
- [j1]Arseniy A. Otlyotov
, Yury Minenkov
:
Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn-xTB methods. J. Comput. Chem. 43(27): 1856-1863 (2022)
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