2004

[94][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.[IF: 3.105][PDF(90 kb)] [Citations]

[95][2]           A. G. Császár, The Molecular Structure of Fluorinated Cyclobutenes: A Coupled-Cluster Study, J. Phys. Chem. A 2004, 108, 2002-2007.[IF: 2.639][PDF(54 kb)][Citations]

[96][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.[IF: 2.639][PDF(52 kb)][Citations]

[97][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.[IF: 1.007][PDF(1177 kb)][Citations]

[98][5]           W. D. Allen, E. Czinki, and A. G. Császár, Molecular Structure of Proline, Chem. Eur. J. 2004, 10, 4512-4517.[IF: 4.517][PDF(111 kb)][Citations]

[99][6]           A. G. Császár, Edward Teller (1908-2003) and Theoretical Molecular Spectroscopy, Debreceni Szemle 2004, 4, 570-581 (in Hungarian).

[100][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.[IF: 1.406][PDF(194 kb)] [Citations]

[101][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.[IF: 3.105][PDF(186 kb)] [Citations]