دنبال کردن
Attila G. Császár
عنوان
نقل شده توسط
نقل شده توسط
سال
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
4629*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
8902004
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
7871998
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), 2006‏
4052006
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
3962013
Conformers of gaseous glycine‏
AG Csaszar‏
Journal of the American Chemical society 114 (24), 9568-9575, 1992‏
3901992
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
3632003
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
3502005
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
3262014
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
3172008
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
3061990
MARVEL: measured active rotational–vibrational energy levels‏
T Furtenbacher, AG Császár, J Tennyson‏
Journal of Molecular Spectroscopy 245 (2), 115-125, 2007‏
2832007
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
2492009
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), 2009‏
2442009
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
2412012
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
2402003
Conformers of gaseous α-alanine‏
AG Csaszar‏
The Journal of Physical Chemistry 100 (9), 3541-3551, 1996‏
2241996
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), 2005‏
2222005
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
1951993
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
1701999
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20