| 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 | 233 | 2012 |
| 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 | 100 | 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 | 90 | 2010 |
| Calibration-quality adiabatic potential energy surfaces for H3+ and its isotopologues M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ... The Journal of Chemical Physics 136 (18), 2012 | 83 | 2012 |
| 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 | 77 | 2010 |
| 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 | 76 | 2014 |
| 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 | 65 | 2013 |
| 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 | 59 | 2018 |
| 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 | 55 | 2011 |
| 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 | 48 | 2013 |
| Conformers of gaseous threonine T Szidarovszky, G Czakó, AG Császár Molecular Physics 107 (8-12), 761-775, 2009 | 47 | 2009 |
| 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 | 46 | 2010 |
| 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 | 43 | 2016 |
| 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 | 42 | 2012 |
| 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 | 33 | 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 | 30 | 2018 |
| 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 | 24 | 2017 |
| Modelling non-adiabatic effects in H3+: 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), 2014 | 22 | 2014 |
| 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 | 21 | 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 | 21 | 2015 |
Attila G. CsászárProfessor of Chemistry, Eötvös UniversityVerified email at ttk.elte.hu
