Articles with public access mandates - Vladimir RybkinLearn more
Not available anywhere: 4
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
Mandates: German Research Foundation, Research Council of Norway
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
Mandates: Swiss National Science Foundation, European Commission
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
Mandates: German Research Foundation
Sampling microcanonical ensembles of trajectories using harmonic approximation in internal coordinates
VV Rybkin, U Ekström
The Journal of Chemical Physics 141 (6), 2014
Mandates: European Commission, Research Council of Norway
Available somewhere: 21
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
Mandates: US Department of Energy, Swiss National Science Foundation, Natural Sciences …
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
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation, European Commission
Temperature dependent properties of the aqueous electron
J Lan, VV Rybkin, A Pasquarello
Angewandte Chemie 134 (38), e202209398, 2022
Mandates: Swiss National Science Foundation
Mechanism of aqueous carbon dioxide reduction by the solvated electron
VV Rybkin
The Journal of Physical Chemistry B 124 (46), 10435-10441, 2020
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation, German Research Foundation
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
Mandates: Swiss National Science Foundation
Sampling Potential Energy Surfaces in the Condensed Phase with Many‐Body Electronic Structure Methods
VV Rybkin
Chemistry–A European Journal 26 (2), 362-368, 2020
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation, German Research Foundation
Effect of the alkyl linker length on the photoisomerization of hydrazone switches on metal surfaces
LQ Zheng, S Yang, S Krähenbühl, VV Rybkin, J Lan, I Aprahamian, ...
Materials Today Chemistry 24, 100797, 2022
Mandates: US National Science Foundation
Quantum dynamics of water from Møller-Plesset perturbation theory via a neural network potential
J Lan, D Wilkins, V Rybkin, M Iannuzzi, J Hutter
Mandates: Swiss National Science Foundation
Surface tension of liquids and binary mixtures from molecular dynamics simulations
M Pauletti, VV Rybkin, M Iannuzzi
Journal of Physics: Condensed Matter 34 (4), 044003, 2021
Mandates: Swiss National Science Foundation
Formulation and implementation of density functional embedding theory using products of basis functions
VV Rybkin
Journal of Chemical Theory and Computation 17 (7), 3995-4005, 2021
Mandates: Swiss National Science Foundation
Publication and funding information is determined automatically by a computer program