Attila G. Császár

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Tibor FurtenbacherEotvos UniversityAdresă de e-mail confirmată pe chem.elte.hu
Jonathan TennysonUniversity College LondonAdresă de e-mail confirmată pe ucl.ac.uk
Polyansky olleading research fellow IAP,Russia, Nizhny Novgorod, Honorary Professor, UCL, London UKAdresă de e-mail confirmată pe ucl.ac.uk
Tamás SzidarovszkyResearch Associate at Eötvös Loránd UniversityAdresă de e-mail confirmată pe ttk.elte.hu
Gábor CzakóAssociate Professor of Chemistry, University of SzegedAdresă de e-mail confirmată pe chem.u-szeged.hu
Csaba FábriMTA-ELTE Research Group on Complex Chemical Systems, HUN-REN Supported Research GroupsAdresă de e-mail confirmată pe staff.elte.hu
Edit MatyusAssociate Professor, Eötvös Loránd UniversityAdresă de e-mail confirmată pe ttk.elte.hu
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaAdresă de e-mail confirmată pe uga.edu
Viktor SzalayAdresă de e-mail confirmată pe wigner.mta.hu
Robert R. GamacheProfessor of Atmospheric Science, University of Massachusetts LowellAdresă de e-mail confirmată pe uml.edu
Peter F. BernathProfessor, Department of Chemistry & Biochemistry, Old Dominion UniversityAdresă de e-mail confirmată pe odu.edu
Péter G. SzalayProfessor of Chemistry, ELTE Eötvös Loránd UniversityAdresă de e-mail confirmată pe chem.elte.hu
György TarczayInstitute of Chemistry, Eötvös University, Budapest, HungaryAdresă de e-mail confirmată pe chem.elte.hu
Joseph HodgesNational Institute of Standards and TechnologyAdresă de e-mail confirmată pe nist.gov
Sergey YurchenkoPhysics and Astronomy, University College LondonAdresă de e-mail confirmată pe ucl.ac.uk
Perczel AndrásEötvös Loránd TudományegyetemAdresă de e-mail confirmată pe chem.elte.hu
Wim KlopperProfessor für Theoretische Chemie, Karlsruher Institut für TechnologieAdresă de e-mail confirmată pe kit.edu
Lorenzo LodiResearch assistant, University College LondonAdresă de e-mail confirmată pe ucl.ac.uk
Edward ValeevVirginia TechAdresă de e-mail confirmată pe vt.edu
Peter R. SchreinerJustus-Liebig-UniversityAdresă de e-mail confirmată pe org.chemie.uni-giessen.de

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Attila G. Császár

Professor of Chemistry, Eötvös University

Adresă de e-mail confirmată pe ttk.elte.hu - Pagina de pornire

theoretical chemistry high-resolution and precision molecular spectroscopy molecular structure quantum chemistry quantum dyn


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
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	3723*	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	837	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	756	1998
Conformers of gaseous glycine AG Csaszar Journal of the American Chemical society 114 (24), 9568-9575, 1992	392	1992
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	378	2006
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	368	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	338	2005
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part II: Energy levels and transition wavenumbers for HD16O, HD17O, and HD18O J Tennyson, PF Bernath, LR Brown, A Campargue, AG Csaszar, ... Journal of Quantitative Spectroscopy and Radiative Transfer 111 (15), 2160-2184, 2010	330	2010
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	308	2008
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	300	1990
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	298	2014
MARVEL: measured active rotational–vibrational energy levels T Furtenbacher, AG Császár, J Tennyson Journal of Molecular Spectroscopy 245 (2), 115-125, 2007	253	2007
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	239	2009
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	237	2012
Conformers of gaseous α-alanine AG Csaszar The Journal of Physical Chemistry 100 (9), 3541-3551, 1996	233	1996
Definitive Ab Initio Studies of Model S_N2 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	232	2003
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	231	2009
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	217	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	193	1993
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	174	1999

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