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János Sarka
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Domino tunneling
PR Schreiner, JP Wagner, HP Reisenauer, D Gerbig, D Ley, J Sarka, ...
Journal of the American Chemical Society 137 (24), 7828-7834, 2015
662015
Molecular dimers of methane clathrates: ab initio potential energy surfaces and variational vibrational states
MP Metz, K Szalewicz, J Sarka, R Tóbiás, AG Császár, E Mátyus
Physical Chemistry Chemical Physics 21 (25), 13504-13525, 2019
422019
Communication: Rigidity of the molecular ion H5+
C Fábri, J Sarka, AG Császár
The Journal of Chemical Physics 140 (5), 2014
412014
Interpretation of the vibrational energy level structure of the astructural molecular ion H 5+ and all of its deuterated isotopomers
J Sarka, AG Császár
The Journal of Chemical Physics 144 (15), 2016
402016
Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
J Sarka, AG Császár, SC Althorpe, DJ Wales, E Mátyus
Physical Chemistry Chemical Physics 18 (33), 22816-22826, 2016
352016
Rovibrational quantum dynamical computations for deuterated isotopologues of the methane–water dimer
J Sarka, AG Császár, E Mátyus
Physical Chemistry Chemical Physics 19 (23), 15335-15345, 2017
312017
Rovibrational energy levels of the F−(H 2 O) and F−(D 2 O) complexes
J Sarka, D Lauvergnat, V Brites, AG Császár, C Léonard
Physical Chemistry Chemical Physics 18 (26), 17678-17690, 2016
262016
Complex rovibrational dynamics of the Ar· NO+ complex
D Papp, J Sarka, T Szidarovszky, AG Császár, E Mátyus, M Hochlaf, ...
Physical Chemistry Chemical Physics 19 (12), 8152-8160, 2017
252017
Modelling rotations, vibrations, and rovibrational couplings in astructural molecules – a case study based on the H+5 molecular ion
J Sarka, C Fábri, T Szidarovszky, AG Császár, Z Lin, AB McCoy
Molecular Physics 113 (13-14), 1873-1883, 2015
222015
Rovibrational quantum dynamics of the vinyl radical and its deuterated isotopologues
J Šmydke, C Fábri, J Sarka, AG Császár
Physical Chemistry Chemical Physics 21 (7), 3453-3472, 2019
202019
Wiley Interdiscip
AG Császár, C Fábri, J Sarka
Rev.: Comput. Mol. Sci 2, 273-289, 2012
202012
Do the mercaptocarbene (H–C–S–H) and selenocarbene (H–C–Se–H) congeners of hydroxycarbene (H–C–O–H) undergo 1, 2-H-tunneling?
J Sarka, AG Csaszar, PR Schreiner
Collection of Czechoslovak Chemical Communications 76 (6), 645-667, 2011
192011
Quasistructural molecules
AG Császár, C Fábri, J Sarka
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (1), e1432, 2020
172020
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H2O …
J Sarka, B Poirier, V Szalay, AG Császár
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 250, 119164, 2021
142021
ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+
CA Bowesman, II Mizus, NF Zobov, OL Polyansky, J Sarka, B Poirier, ...
Monthly Notices of the Royal Astronomical Society 519 (4), 6333-6348, 2023
102023
Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States
J Sarka, B Poirier
Journal of Chemical Theory and Computation 17 (12), 7732-7744, 2021
102021
Exact bound rovibrational spectra of the neon tetramer
J Sarka, C Petty, B Poirier
The Journal of Chemical Physics 151 (17), 2019
102019
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity
J Sarka, B Poirier, V Szalay, AG Császár
Scientific Reports 10 (1), 4872, 2020
92020
Calculation of rovibrational eigenstates of H3+ using ScalIT
J Sarka, D Das, B Poirier
AIP Advances 11 (4), 2021
42021
Comment on “Calculated vibrational states of ozone up to dissociation”[J. Chem. Phys. 144, 074302 (2016)]
J Sarka, B Poirier
The Journal of Chemical Physics 152 (17), 2020
42020
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