An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies.

Arseniy A. Otlyotov

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. 3004-3016 2024 December 45 J. Comput. Chem. 32 https://doi.org/10.1002/jcc.27471 db/journals/jcc/jcc45.html#RyzhakoTOM24 streams/journals/jcc

Arseniy A. Otlyotov Yury Minenkov Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies. 1807-1816 2023 44 J. Comput. Chem. 22 https://doi.org/10.1002/jcc.27129 db/journals/jcc/jcc44.html#OtlyotovM23

Arseniy A. Otlyotov Yury Minenkov Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn-xTB methods. 1856-1863 2022 43 J. Comput. Chem. 27 https://doi.org/10.1002/jcc.26988 db/journals/jcc/jcc43.html#OtlyotovM22

Yury Minenkov Alexander S. Ryzhako Anna A. Tuma