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Tamás Szidarovszky
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The fourth age of quantum chemistry: molecules in motion
AG Császár, C Fábri, T Szidarovszky, E Mátyus, T Furtenbacher, G Czakó
Phys. Chem. Chem. Phys. 14, 1085-1106, 2012
2022012
Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range
M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ...
Physical Review Letters 108 (2), 023002, 2012
982012
First-principles prediction and partial characterization of the vibrational states of water up to dissociation
AG Csaszar, E Mátyus, T Szidarovszky, L Lodi, NF Zobov, SV Shirin, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 111 (9), 1043-1064, 2010
882010
Calibration-quality adiabatic potential energy surfaces for and its isotopologues
M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ...
The Journal of Chemical Physics 136 (18), 184303, 2012
762012
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part IV. Energy levels and transition wavenumbers for D216O, D217O, and D218O
J Tennyson, PF Bernath, LR Brown, A Campargue, AG Császár, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 142, 93-108, 2014
742014
Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules
E Mátyus, C Fábri, T Szidarovszky, G Czakó, WD Allen, AG Császár
The Journal of chemical physics 133 (3), 034113, 2010
692010
Analysis of the Rotational–Vibrational States of the Molecular Ion H3+
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
Journal of Chemical Theory and Computation 9 (12), 5471-5478, 2013
602013
Gas-Phase and Ar-Matrix SQM Scaling Factors for Various DFT Functionals with Basis Sets Including Polarization and Diffuse Functions
C Fábri, T Szidarovszky, G Magyarfalvi, G Tarczay
The Journal of Physical Chemistry A 115, 4640-4649, 2011
552011
Conical intersections induced by quantum light: Field-dressed spectra from the weak to the ultrastrong coupling regimes
T Szidarovszky, GJ Halász, AG Császár, LS Cederbaum, Á Vibók
The Journal of Physical Chemistry Letters 9 (21), 6215-6223, 2018
482018
On the efficiency of treating singularities in triatomic variational vibrational computations. The vibrational states of H+ 3 up to dissociation
T Szidarovszky, AG Császár, G Czakó
Physical Chemistry Chemical Physics 12 (29), 8373-8386, 2010
432010
Conformers of gaseous threonine
T Szidarovszky, G Czakó, AG Császár
Molecular Physics 107 (8-12), 761-775, 2009
432009
MARVEL analysis of the rotational–vibrational states of the molecular ions H 2 D+ and D 2 H+
T Furtenbacher, T Szidarovszky, C Fábri, AG Császár
Physical Chemistry Chemical Physics 15 (25), 10181-10193, 2013
422013
Definitive Ideal-Gas Thermochemical Functions of the H216O Molecule
T Furtenbacher, T Szidarovszky, J Hrubý, AA Kyuberis, NF Zobov, ...
Journal of Physical and Chemical Reference Data 45 (4), 043104, 2016
402016
Spectroscopy of H3+ based on a new high-accuracy global potential energy surface
OL Polyansky, A Alijah, NF Zobov, II Mizus, RI Ovsyannikov, J Tennyson, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2012
402012
The role of axis embedding on rigid rotor decomposition analysis of variational rovibrational wave functions
T Szidarovszky, C Fábri, AG Császár
The Journal of Chemical Physics 136 (17), 174112, 2012
312012
Direct Signatures of Light-Induced Conical Intersections on the Field-Dressed Spectrum of Na2
T Szidarovszky, GJ Halász, AG Császár, LS Cederbaum, A Vibók
The Journal of Physical Chemistry Letters 9 (11), 2739-2745, 2018
262018
Recommended ideal-gas thermochemical functions for heavy water and its substituent isotopologues
I Simkó, T Furtenbacher, J Hrubý, NF Zobov, OL Polyansky, J Tennyson, ...
Journal of Physical and Chemical Reference Data 46 (2), 023104, 2017
232017
Toward accurate thermochemistry of the 24MgH, 25MgH, and 26MgH molecules at elevated temperatures: Corrections due to unbound states
T Szidarovszky, AG Császár
The Journal of Chemical Physics 142 (1), 014103, 2015
212015
Modelling non-adiabatic effects in : Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces
E Mátyus, T Szidarovszky, AG Császár
The Journal of Chemical Physics 141 (15), 154111, 2014
202014
Infrared Signatures of the HHen+ and DHen+ (n = 3–6) Complexes
O Asvany, S Schlemmer, T Szidarovszky, AG Császár
The Journal of Physical Chemistry Letters 10 (18), 5325-5330, 2019
192019
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