[1] A. G. Császár, V. Szalay, and M. L. Senent, Ab Initio Torsional Potential and Transition Frequencies of Acetaldehyde, J. Chem. Phys. 2004, 120, 1203-1207. https://doi.org/10.1063/1.1633260 [PDF (90 kb)]

[2] A. G. Császár, The Molecular Structure of Fluorinated Cyclobutenes: A Coupled-Cluster Study, J. Phys. Chem. A 2004, 108, 2002-2007. https://doi.org/10.1021/jp036124q [PDF (54 kb)]

[3] B. A. Flowers, P. G. Szalay, J. Vazquéz, J. F. Stanton, M. Kállay, J. Gauss, and A. G. Császár, Benchmark Thermochemistry of the Hydroperoxyl Radical, J. Phys. Chem. A 2004, 108, 3195-3199. https://doi.org/10.1021/jp037347j [PDF (52 kb)]

[4] E. Czinki and A. G. Császár, On NMR Isotropic Chemical Shift Surfaces of Peptide Models, J. Mol. Struct. (THEOCHEM) (Special Issue) 2004, 675, 107-116. http://dx.doi.org/10.1016/j.theochem.2003.12.034 [PDF (1177 kb)]

[5] W. D. Allen, E. Czinki, and A. G. Császár, Molecular Structure of Proline, Chem. Eur. J. 2004, 10, 4512-4517. https://doi.org/10.1002/chem.200400112 [PDF (111 kb)]

[6] A. G. Császár, Edward Teller (1908-2003) and Theoretical Molecular Spectroscopy, Debreceni Szemle 2004, 4, 570-581 (in Hungarian).

[7] G. Czakó, T. Furtenbacher, A. G. Császár, and V. Szalay, Variational Vibrational Calculations Using High-Order Anharmonic Force Fields, Mol. Phys. (Nicholas C. Handy Special Issue) 2004, 102, 2411-2423. http://dx.doi.org/10.1080/0026897042000274991 [PDF (194 kb)]

[8] A. Tajti, P. G. Szalay, A. G. Császár, M. Kállay, J. Gauss, E. F. Valeev, B. A. Flowers, J. Vazquéz, J. F. Stanton, HEAT: High Accuracy Extrapolated Ab Initio Thermochemistry, J. Chem. Phys. 2004, 121, 11599-11613. https://doi.org/10.1063/1.1811608 [PDF (186 kb)]