IUPAC critical evaluation of the rotational–vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O J Tennyson, PF Bernath, LR Brown, A Campargue, AG Császár, ... Journal of quantitative spectroscopy and radiative transfer 117, 29-58, 2013 | 283 | 2013 |
The fourth age of quantum chemistry: molecules in motion AG Csaszar, C Fabri, T Szidarovszky, E Matyus, T Furtenbacher, G Czako Physical Chemistry Chemical Physics 14 (3), 1085-1106, 2012 | 236 | 2012 |
Rotating full-and reduced-dimensional quantum chemical models of molecules C Fábri, E Mátyus, AG Császár The Journal of chemical physics 134 (7), 2011 | 134 | 2011 |
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 | 79 | 2010 |
Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO C Fábri, E Mátyus, T Furtenbacher, L Nemes, B Mihály, T Zoltáni, ... The Journal of chemical physics 135 (9), 2011 | 69 | 2011 |
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 | 67 | 2013 |
Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia C Fábri, E Mátyus, AG Császár Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 119, 84-89, 2014 | 65 | 2014 |
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 (18), 4640-4649, 2011 | 56 | 2011 |
On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of CH 5+ C Fábri, M Quack, AG Császár The Journal of chemical physics 147 (13), 2017 | 48 | 2017 |
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 |
Communication: Rigidity of the molecular ion H5+ C Fábri, J Sarka, AG Császár The Journal of Chemical Physics 140 (5), 2014 | 41 | 2014 |
Controlling tunneling in ammonia isotopomers C Fábri, R Marquardt, AG Császár, M Quack The Journal of chemical physics 150 (1), 2019 | 40 | 2019 |
Tunneling and parity violation in trisulfane (HSSSH): an almost ideal molecule for detecting parity violation in chiral molecules C Fábri, Ľ Horný, M Quack ChemPhysChem 16 (17), 3584-3589, 2015 | 35 | 2015 |
Born–Oppenheimer approximation in optical cavities: from success to breakdown C Fábri, GJ Halász, LS Cederbaum, Á Vibók Chemical Science 12 (4), 1251-1258, 2021 | 33 | 2021 |
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 | 31 | 2012 |
Liquid–vapor interface of formic acid solutions in salt water: a comparison of macroscopic surface tension and microscopic in situ x-ray photoelectron spectroscopy measurements JG Pruyne, MT Lee, C Fábri, A Beloqui Redondo, A Kleibert, M Ammann, ... The Journal of Physical Chemistry C 118 (50), 29350-29360, 2014 | 29 | 2014 |
High resolution GHz and THz (FTIR) spectroscopy and theory of parity violation and tunneling for 1, 2-dithiine (C 4 H 4 S 2) as a candidate for measuring the parity violating … S Albert, I Bolotova, Z Chen, C Fábri, M Quack, G Seyfang, D Zindel Physical Chemistry Chemical Physics 18 (31), 21976-21993, 2016 | 25 | 2016 |
Synchrotron-Based Highest Resolution Terahertz Spectroscopy of the ν24 Band System of 1,2-Dithiine (C4H4S2): A Candidate for Measuring the Parity Violating … S Albert, F Arn, I Bolotova, Z Chen, C Fabri, G Grassi, P Lerch, M Quack, ... The journal of physical chemistry letters 7 (19), 3847-3853, 2016 | 23 | 2016 |
High-resolution FTIR spectroscopy of trisulfane HSSSH: a candidate for detecting parity violation in chiral molecules S Albert, I Bolotova, Z Chen, C Fábri, M Quack, G Seyfang, D Zindel Physical Chemistry Chemical Physics 19 (19), 11738-11743, 2017 | 21 | 2017 |
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 | 21 | 2015 |