| DFT Study of the Molecular and Electronic Structure of Metal-Free Tetrabenzoporphyrin and Its Metal Complexes with Zn, Cd, Al, Ga, In AV Eroshin, AA Otlyotov, IA Kuzmin, PA Stuzhin, YA Zhabanov International Journal of Molecular Sciences 23 (2), 939, 2022 | 27 | 2022 |
| DFT Study of Molecular and Electronic Structure of Ca (II) and Zn (II) Complexes with Porphyrazine and tetrakis (1, 2, 5-thiadiazole) porphyrazine AA Otlyotov, IV Ryzhov, IA Kuzmin, YA Zhabanov, MS Mikhailov, ... International journal of molecular sciences 21 (8), 2923, 2020 | 21 | 2020 |
| 1, 8-Bis (phenylethynyl) anthracene–gas and solid phase structures JH Lamm, J Horstmann, HG Stammler, NW Mitzel, YA Zhabanov, ... Organic & biomolecular chemistry 13 (33), 8893-8905, 2015 | 15 | 2015 |
| Molecular structure of 5, 10, 15, 20-tetrakis (4′-fluorophenyl) porphyrin by combined gas-phase electron diffraction/mass spectrometry experiment and DFT calculations IY Kurochkin, AE Pogonin, AA Otlyotov, AN Kiselev, AV Krasnov, ... Journal of Molecular Structure 1221, 128662, 2020 | 14 | 2020 |
| 16OSTM10: a new open-shell transition metal conformational energy database to challenge contemporary semiempirical and force field methods AA Otlyotov, AD Moshchenkov, L Cavallo, Y Minenkov Physical Chemistry Chemical Physics 24 (28), 17314-17322, 2022 | 13 | 2022 |
| Gas-phase structures of hemiporphyrazine and dicarbahemiporphyrazine: Key role of interactions inside coordination cavity AA Otlyotov, YA Zhabanov, AE Pogonin, AS Kuznetsova, MK Islyaikin, ... Journal of Molecular Structure 1184, 576-582, 2019 | 13 | 2019 |
| Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn‐xTB methods AA Otlyotov, Y Minenkov Journal of Computational Chemistry 43 (27), 1856-1863, 2022 | 11 | 2022 |
| Gas-phase thermochemistry of polycyclic aromatic hydrocarbons: an approach integrating the quantum chemistry composite scheme and reaction generator I Minenkova, AA Otlyotov, L Cavallo, Y Minenkov Physical Chemistry Chemical Physics 24 (5), 3163-3181, 2022 | 11 | 2022 |
| Nitroxoline molecule: planar or not? A story of battle between π–π conjugation and interatomic repulsion DS Tikhonov, DI Sharapa, AA Otlyotov, PM Solyankin, AN Rykov, ... The Journal of Physical Chemistry A 122 (6), 1691-1701, 2018 | 11 | 2018 |
| Gas-phase structure of 1, 8-bis [(trimethylsilyl) ethynyl] anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions AA Otlyotov, JH Lamm, S Blomeyer, NW Mitzel, VV Rybkin, YA Zhabanov, ... Physical Chemistry Chemical Physics 19 (20), 13093-13100, 2017 | 10 | 2017 |
| Gas‐phase thermochemistry of noncovalent ligand–alkali metal ion clusters: An impact of low frequencies AA Otlyotov, Y Minenkov Journal of Computational Chemistry 44 (22), 1807-1816, 2023 | 9 | 2023 |
| Molecular Structure of Nickel Octamethylporphyrin—Rare Experimental Evidence of a Ruffling Effect in Gas Phase AE Pogonin, AA Otlyotov, Y Minenkov, AS Semeikin, YA Zhabanov, ... International Journal of Molecular Sciences 23 (1), 320, 2021 | 9 | 2021 |
| Molecular structure of cobalt (II) etioporphyrin-II determined by combined gas-phase electron diffraction/mass-spectrometry and quantum chemical calculations: Searching a … AE Pogonin, AA Otlyotov, NV Tverdova, AA Ischenko, VD Rumyantseva, ... Journal of Molecular Structure 1216, 128319, 2020 | 9 | 2020 |
| Ligand Coordination in Bis(β-diketonato) d Metals: The Mn(II) Case of D2h versus D2d Symmetry RJF Berger, GV Girichev, NI Giricheva, AA Otlyotov, AA Petrova Inorganic chemistry 58 (7), 4344-4349, 2019 | 8 | 2019 |
| The effect of molecular dynamics sampling on the calculated observable gas-phase structures DS Tikhonov, AA Otlyotov, VV Rybkin Physical Chemistry Chemical Physics 18 (27), 18237-18245, 2016 | 8 | 2016 |
| “In Vitro” and “In Vivo” Diagnostic Check for the Thermochemistry of Metal–Organic Compounds AA Otlyotov, Y Minenkov, DH Zaitsau, KV Zherikova, SP Verevkin Inorganic Chemistry 61 (28), 10743-10755, 2022 | 6 | 2022 |
| Hemihexaphyrazine and Thiadiazole Annulated Hemihexaphyrazine: A Theoretical Insight into Aromaticity and Energetics of Hydrogen Bonding AA Otlyotov, VV Veretennikov, AP Merlyan, EN Ivanov, YE Filippova, ... Макрогетероциклы 12 (2), 209-214, 2019 | 6 | 2019 |
| Iron (II) Complexes with Porphyrin and Tetrabenzoporphyrin: CASSCF/MCQDPT2 Study of the Electronic Structures and UV–Vis Spectra by sTD-DFT AV Eroshin, AI Koptyaev, AA Otlyotov, Y Minenkov, YA Zhabanov International Journal of Molecular Sciences 24 (8), 7070, 2023 | 5 | 2023 |
| Gas-phase equilibrium molecular structures and ab initio thermochemistry of anthracene and rubrene AA Otlyotov, IY Kurochkin, Y Minenkov, PC Trapp, JH Lamm, GV Girichev, ... Physical Chemistry Chemical Physics 24 (47), 29195-29204, 2022 | 5 | 2022 |
| Molecular Structure of Pyrazinamide: A Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories AA Otlyotov, GV Girichev, AN Rykov, T Glodde, YV Vishnevskiy The Journal of Physical Chemistry A 124 (25), 5204-5211, 2020 | 5 | 2020 |
Yury MinenkovN.N. Semenov Federal Research Center for Chemical Physics Russian Academy of SciencesVerified email at chph.ras.ru