CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... The Journal of Chemical Physics 152 (19), 2020 | 1921 | 2020 |
The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1444* | 2014 |
Dynamics of the Bulk Hydrated Electron from Many‐Body Wave‐Function Theory J Wilhelm, J VandeVondele, VV Rybkin Angewandte Chemie International Edition 58 (12), 3890-3893, 2019 | 57 | 2019 |
Simulating the ghost: quantum dynamics of the solvated electron J Lan, V Kapil, P Gasparotto, M Ceriotti, M Iannuzzi, VV Rybkin Nature communications 12 (1), 766, 2021 | 53 | 2021 |
Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces J Lan, VV Rybkin, M Iannuzzi The journal of physical chemistry letters 11 (9), 3724-3730, 2020 | 49 | 2020 |
Spin-unrestricted second-order Møller–Plesset (MP2) forces for the condensed phase: from molecular radicals to f-centers in solids VV Rybkin, J VandeVondele Journal of chemical theory and computation 12 (5), 2214-2223, 2016 | 30 | 2016 |
Mechanochemistry: the effect of dynamics HS Smalø, VV Rybkin, W Klopper, T Helgaker, E Uggerud The Journal of Physical Chemistry A 118 (36), 7683-7694, 2014 | 25 | 2014 |
Double-hybrid DFT functionals for the condensed phase: Gaussian and plane waves implementation and evaluation F Stein, J Hutter, VV Rybkin Molecules 25 (21), 5174, 2020 | 20 | 2020 |
Temperature dependent properties of the aqueous electron J Lan, VV Rybkin, A Pasquarello Angewandte Chemie 134 (38), e202209398, 2022 | 18 | 2022 |
Mechanism of aqueous carbon dioxide reduction by the solvated electron VV Rybkin The Journal of Physical Chemistry B 124 (46), 10435-10441, 2020 | 17 | 2020 |
Application of classical simulations for the computation of vibrational properties of free molecules DS Tikhonov, DI Sharapa, J Schwabedissen, VV Rybkin Physical Chemistry Chemical Physics 18 (40), 28325-28338, 2016 | 14 | 2016 |
Franck–Condon theory of quantum mechanochemistry VV Rybkin The Journal of Physical Chemistry A 121 (30), 5758-5762, 2017 | 13 | 2017 |
Enthalpies of sublimation of L-methionine and DL-methionine: Knudsen’s effusion mass spectrometric study VV Tyunina, AV Krasnov, EY Tyunina, VG Badelin, VV Rybkin The Journal of Chemical Thermodynamics 135, 287-295, 2019 | 12 | 2019 |
Nuclear quantum effects on aqueous electron attachment and redox properties VV Rybkin, J VandeVondele The journal of physical chemistry letters 8 (7), 1424-1428, 2017 | 12 | 2017 |
Insights into the dynamics of evaporation and proton migration in protonated water clusters from Large‐scale Born–Oppenheimer direct dynamics VV Rybkin, AO Simakov, V Bakken, S Reine, T Kjærgaard, T Helgaker, ... Journal of computational chemistry 34 (7), 533-544, 2013 | 11 | 2013 |
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 |
Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics J Lan, Y Yamamoto, T Suzuki, VV Rybkin Chemical science 13 (13), 3837-3844, 2022 | 9 | 2022 |
Internal‐to‐Cartesian back transformation of molecular geometry steps using high‐order geometric derivatives VV Rybkin, U Ekström, T Helgaker Journal of Computational Chemistry 34 (21), 1842-1849, 2013 | 9 | 2013 |
Composition of overheated vapors and molecular structure of monomeric tris-hexafluoroacetylacetonates of lanthanum, neodymium and samarium VV Rybkin, NV Tverdova, GV Girichev, SA Shlykov, NP Kuzmina, ... Journal of Molecular Structure 1006 (1-3), 173-179, 2011 | 9 | 2011 |
Structure and energy study of β-diketonates. XV. Composition of superheated vapors and structure of monomeric molecules of tris-hexafluoroacetylacetonates of … NV Tverdova, GV Girichev, VV Rybkin, SA Shlykov, NP Kuzmina, ... Journal of Structural Chemistry 49, 1001-1011, 2008 | 9 | 2008 |