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
255 2012 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
114 2014 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
109 2012 Calibration-quality adiabatic potential energy surfaces for M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ...
The Journal of Chemical Physics 136 (18), 2012
92 2012 First-principles prediction and partial characterization of the vibrational states of water up to dissociation AG Császár, E Mátyus, T Szidarovszky, L Lodi, NF Zobov, SV Shirin, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 111 (9), 1043-1064, 2010
92 2010 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), 2010
81 2010 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
80 2018 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
76 2013 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
57 2011 Conformers of gaseous threonine T Szidarovszky, G Czakó, AG Császár
Molecular Physics 107 (8-12), 761-775, 2009
52 2009 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), 2016
51 2016 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
50 2013 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
48 2010 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
47 2012 Direct Signatures of Light-Induced Conical Intersections on the Field-Dressed Spectrum of Na2 T Szidarovszky, GJ Halász, AG Császár, LS Cederbaum, Á Vibók
The Journal of Physical Chemistry Letters 9 (11), 2739-2745, 2018
38 2018 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), 2012
34 2012 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
27 2019 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), 2015
27 2015 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), 2017
25 2017 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
25 2017 
Attila G. CsászárProfessor of Chemistry, Eötvös UniversityGeverifieerd e-mailadres voor ttk.elte.hu
