| The HITRAN2016 molecular spectroscopic database IE Gordon, LS Rothman, C Hill, RV Kochanov, Y Tan, PF Bernath, M Birk, ... Journal of Quantitative Spectroscopy and Radiative Transfer 203, 3-69, 2017 | 1487 | 2017 |
| HEAT: High accuracy extrapolated ab initio thermochemistry A Tajti, PG Szalay, AG Császár, M Kállay, J Gauss, EF Valeev, ... The Journal of chemical physics 121 (23), 11599-11613, 2004 | 660 | 2004 |
| In pursuit of the ab initio limit for conformational energy prototypes AG Csaszar, WD Allen, HF Schaefer III The Journal of chemical physics 108 (23), 9751-9764, 1998 | 652 | 1998 |
| Conformers of gaseous glycine AG Csaszar Journal of the American Chemical society 114 (24), 9568-9575, 1992 | 362 | 1992 |
| High-accuracy ab initio rotation-vibration transitions for water OL Polyansky, AG Császár, SV Shirin, NF Zobov, P Barletta, J Tennyson, ... Science 299 (5606), 539-542, 2003 | 331 | 2003 |
| IUPAC critical evaluation of thermochemical properties of selected radicals. Part I B Ruscic, JE Boggs, A Burcat, AG Császár, J Demaison, R Janoschek, ... Journal of physical and chemical reference data 34 (2), 573-656, 2005 | 317 | 2005 |
| High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification YJ Bomble, J Vázquez, M Kállay, C Michauk, PG Szalay, AG Császár, ... The Journal of chemical physics 125 (6), 064108, 2006 | 310 | 2006 |
| A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules WD Allen, Y Yamaguchi, AG Császár, DA Clabo Jr, RB Remington, ... Chemical physics 145 (3), 427-466, 1990 | 270 | 1990 |
| Capture of hydroxymethylene and its fast disappearance through tunnelling PR Schreiner, HP Reisenauer, FC Pickard Iv, AC Simmonett, WD Allen, ... Nature 453 (7197), 906-909, 2008 | 257 | 2008 |
| 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 | 218 | 2013 |
| Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F− (X=F, Cl, CN, OH, SH, NH2, PH2) JM Gonzales, C Pak, RS Cox, WD Allen, HF Schaefer Iii, AG Császár, ... Chemistry–A European Journal 9 (10), 2173-2192, 2003 | 208 | 2003 |
| Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report) J Tennyson, PF Bernath, A Campargue, AG Császár, L Daumont, ... Pure and Applied Chemistry 86 (12), 1931-1943, 2014 | 207 | 2014 |
| Conformers of gaseous α-alanine AG Csaszar The Journal of Physical Chemistry 100 (9), 3541-3551, 1996 | 201 | 1996 |
| IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers for H217O and H218O J Tennyson, PF Bernath, LR Brown, A Campargue, MR Carleer, ... Journal of Quantitative Spectroscopy and Radiative Transfer 110 (9-10), 573-596, 2009 | 198 | 2009 |
| MARVEL: measured active rotational–vibrational energy levels T Furtenbacher, AG Császár, J Tennyson Journal of Molecular Spectroscopy 245 (2), 115-125, 2007 | 190 | 2007 |
| On equilibrium structures of the water molecule AG Császár, G Czakó, T Furtenbacher, J Tennyson, V Szalay, SV Shirin, ... The Journal of chemical physics 122 (21), 214305, 2005 | 189 | 2005 |
| On the ab initio determination of higher‐order force constants at nonstationary reference geometries WD Allen, AG Császár The Journal of chemical physics 98 (4), 2983-3015, 1993 | 182 | 1993 |
| 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 | 174 | 2012 |
| Toward black-box-type full-and reduced-dimensional variational (ro) vibrational computations E Mátyus, G Czakó, AG Császár The Journal of chemical physics 130 (13), 134112, 2009 | 171 | 2009 |
| Ab initio characterization of building units in peptides and proteins AG Császár, A Perczel Progress in biophysics and molecular biology 71 (2), 243-309, 1999 | 158 | 1999 |
Jonathan TennysonUniversity College London確認したメール アドレス: ucl.ac.uk
