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Vladimir Rybkin
Vladimir Rybkin
ab initio specialist at HQS Quantum simulations
Geverifieerd e-mailadres voor quantumsimulations.de
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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
26962020
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
1534*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
622019
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
592021
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
582020
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
292016
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
272014
Temperature dependent properties of the aqueous electron
J Lan, VV Rybkin, A Pasquarello
Angewandte Chemie 134 (38), e202209398, 2022
232022
Mechanism of aqueous carbon dioxide reduction by the solvated electron
VV Rybkin
The Journal of Physical Chemistry B 124 (46), 10435-10441, 2020
212020
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
212020
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
182016
Franck–Condon theory of quantum mechanochemistry
VV Rybkin
The Journal of Physical Chemistry A 121 (30), 5758-5762, 2017
152017
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
132019
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
122017
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
122013
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
102017
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
102013
Investigation of the structure and energy of β-diketonates. XIV. Composition of overheated vapors and the molecular structure of monomeric yttrium tris …
GV Girichev, VV Rybkin, NV Tverdova, SA Shlykov, NP Kuz’Mina, ...
Journal of Structural Chemistry 48, 811-820, 2007
102007
Structure and energy studies of β-diketonates. XIII. Molecular structure of gadolinium tris-hexafluoroacetylacetonate Gd(C5O2HF6)3
GV Girichev, NV Tverdova, SA Shlykov, VV Rybkin, NP Kuzmina, ...
Journal of Structural Chemistry 47, 1071-1077, 2006
102006
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
92022
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Artikelen 1–20