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Journal of Computational Chemistry
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September 2, 2022
Conformational energies of microsolvated Na<sup>+</sup> clusters with protic and aprotic solvents from GFNn-xTB methods
Arseniy A Otlyotov, Yury Minenkov
Journal of Computational Chemistry
|
May 9, 2023
Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies
Arseniy A Otlyotov, Yury Minenkov
Inorganic Chemistry
|
November 7, 2022
Cluster-Continuum Model as a Sanity Check of Sodium Ions' Gibbs Free Energies of Transfer
Arseniy A Otlyotov, Luigi Cavallo, Yury Minenkov
Inorganic Chemistry
|
May 23, 2024
Ni, Cu, Zn, Pd, Ag and Cd Tetraphenylporphyrin Ab Initio Thermochemistry: Enthalpy of Formation of ZnTPP Revisited
Arseniy A Otlyotov, Andrey D Moshchenkov, Yury Minenkov
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2022
Gas-phase thermochemistry of polycyclic aromatic hydrocarbons: an approach integrating the quantum chemistry composite scheme and reaction generator
Irina Minenkova, Arseniy A Otlyotov, Luigi Cavallo, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 23, 2016
The effect of molecular dynamics sampling on the calculated observable gas-phase structures
Denis S Tikhonov, Arseniy A Otlyotov, Vladimir V Rybkin
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2022
16OSTM10: a new open-shell transition metal conformational energy database to challenge contemporary semiempirical and force field methods
Arseniy A Otlyotov, Andrey D Moshchenkov, Luigi Cavallo, et al.
Inorganic Chemistry
|
October 20, 2025
Ab Initio Thermochemistry of the First-Row Transition Metal Tris(Acetylacetonates): Refined, Revisited, and Recommended
Andrey D Moshchenkov, Alexander S Ryzhako, Arseniy A Otlyotov, et al.
Journal of Computational Chemistry
|
September 17, 2024
An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies
Alexander S Ryzhako, Anna A Tuma, Arseniy A Otlyotov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2022
Physical and numerical aspects of sodium ion solvation free energies <i>via</i> the cluster-continuum model
Arseniy A Otlyotov, Daniil Itkis, Lada V Yashina, et al.
Page
of 3
Search research articles
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Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
September 2, 2022
Conformational energies of microsolvated Na<sup>+</sup> clusters with protic and aprotic solvents from GFNn-xTB methods
Arseniy A Otlyotov, Yury Minenkov
Journal of Computational Chemistry
|
May 9, 2023
Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters: An impact of low frequencies
Arseniy A Otlyotov, Yury Minenkov
Inorganic Chemistry
|
November 7, 2022
Cluster-Continuum Model as a Sanity Check of Sodium Ions' Gibbs Free Energies of Transfer
Arseniy A Otlyotov, Luigi Cavallo, Yury Minenkov
Inorganic Chemistry
|
May 23, 2024
Ni, Cu, Zn, Pd, Ag and Cd Tetraphenylporphyrin Ab Initio Thermochemistry: Enthalpy of Formation of ZnTPP Revisited
Arseniy A Otlyotov, Andrey D Moshchenkov, Yury Minenkov
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2022
Gas-phase thermochemistry of polycyclic aromatic hydrocarbons: an approach integrating the quantum chemistry composite scheme and reaction generator
Irina Minenkova, Arseniy A Otlyotov, Luigi Cavallo, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 23, 2016
The effect of molecular dynamics sampling on the calculated observable gas-phase structures
Denis S Tikhonov, Arseniy A Otlyotov, Vladimir V Rybkin
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2022
16OSTM10: a new open-shell transition metal conformational energy database to challenge contemporary semiempirical and force field methods
Arseniy A Otlyotov, Andrey D Moshchenkov, Luigi Cavallo, et al.
Inorganic Chemistry
|
October 20, 2025
Ab Initio Thermochemistry of the First-Row Transition Metal Tris(Acetylacetonates): Refined, Revisited, and Recommended
Andrey D Moshchenkov, Alexander S Ryzhako, Arseniy A Otlyotov, et al.
Journal of Computational Chemistry
|
September 17, 2024
An influence of electronic structure theory method, thermodynamic and implicit solvation corrections on the organic carbonates conformational and binding energies
Alexander S Ryzhako, Anna A Tuma, Arseniy A Otlyotov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2022
Physical and numerical aspects of sodium ion solvation free energies <i>via</i> the cluster-continuum model
Arseniy A Otlyotov, Daniil Itkis, Lada V Yashina, et al.
Page
of 3