Attila G. Császár

According to our database, Attila G. Császár authored at least 11 papers between 2000 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

A quantum-chemical perspective on the laser-induced alignment and orientation dynamics of the CH3X (X = F, Cl, Br, I) molecules.

Irén Simkó, Kalyani Chordiya, Attila G. Császár, Mousumi Upadhyay Kahaly, Tamás Szidarovszky

J. Comput. Chem., 2022

2021

Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states.

Péter Árendás, Tibor Furtenbacher, Attila G. Császár

J. Cheminformatics, 2021

2018

Definitive thermochemistry and kinetics of the interconversions among conformers of <i>n</i>-butane and <i>n</i>-pentane.

Roland Tóbiás, Attila G. Császár, László Gyevi-Nagy, Gyula Tasi

J. Comput. Chem., 2018

2017

Four faces of the interaction between ions and aromatic rings.

Dóra Papp, Petra Rovó, Imre Jákli, Attila G. Császár, András Perczel

J. Comput. Chem., 2017

2007

Molecular structures of the two most stable conformers of free glycine.

Veronika Kasalová, Wesley D. Allen, Henry F. Schaefer III, Eszter Czinki, Attila G. Császár

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.

András Perczel, Anna K. Füzéry, Attila G. Császár

J. Comput. Chem., 2003

2001

Intermolecular bond lengths: extrapolation to the basis set limit on uncorrected and BSSE-corrected potential energy hypersurfaces.

Béla Paizs, Pedro Salvador, Attila G. Császár, Miquel Duran, Sándor Suhai

J. Comput. Chem., 2001

Equilibrium inversion barrier of NH3 from extrapolated coupled-cluster pair energies.

Wim Klopper, Claire C. M. Samson, György Tarczay, Attila G. Császár

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.

Péter Hudáky, Imre Jákli, Attila G. Császár, András Perczel

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.

András Perczel, Attila G. Császár

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 .

Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia

J. Comput. Chem., 2000