Attila G. Császár
Orcid: 0000-0001-5640-191X
According to our database1,
Attila G. Császár
authored at least 14 papers
between 2000 and 2025.
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Collaborative distances:
Timeline
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2025
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Book In proceedings Article PhD thesis Dataset OtherLinks
Online presence:
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on orcid.org
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on id.loc.gov
On csauthors.net:
Bibliography
2025
MARVEL Analysis of High-Resolution Rovibrational Spectra of <sup>16</sup>O<sup>13</sup>C<sup>18</sup>O.
J. Comput. Chem., 2025
2024
J. Comput. Chem., May, 2024
MARVEL analysis of high-resolution rovibrational spectra of <sup>16</sup>O<sup>12</sup>C<sup>18</sup>O.
J. Comput. Chem., 2024
2022
A quantum-chemical perspective on the laser-induced alignment and orientation dynamics of the CH3X (X = F, Cl, Br, I) molecules.
J. Comput. Chem., 2022
2021
Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states.
J. Cheminformatics, 2021
2018
Definitive thermochemistry and kinetics of the interconversions among conformers of <i>n</i>-butane and <i>n</i>-pentane.
J. Comput. Chem., 2018
2017
J. Comput. Chem., 2017
2007
J. Comput. Chem., 2007
2003
Toward direct determination of conformations of protein building units from multidimensional NMR experiments. V. NMR chemical shielding analysis of N-formyl-serinamide, a model for polar side-chain containing peptides.
J. Comput. Chem., 2003
2001
Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.
J. Comput. Chem., 2001
Equilibrium inversion barrier of NH3 from extrapolated coupled-cluster pair energies.
J. Comput. Chem., 2001
Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamide.
J. Comput. Chem., 2001
2000
Toward direct determination of conformations of protein building units from multidimensional NMR experiments I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2.
J. Comput. Chem., 2000
Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 .
J. Comput. Chem., 2000