2005

[102][1]           G. Czakó, V. Szalay, A. G. Császár, and T. Furtenbacher, Treating Singularities Present in the Sutcliffe-Tennyson Vibrational Hamiltonian in Orthogonal Internal Coordinates, J. Chem. Phys. 2005, 122, 024101.[IF: 3.138][PDF(133 kB)][Citations]

[103][2]           G. Tasi, M. Szőri, and A. G. Császár, Semitheoretical and QSPR estimates of the Equilibrium and Vibrationally Averaged Structure and Dipole Moment of 1-Buten-3-yne, J. Phys. Chem. A 2005, 109, 4824-4828.[IF: 2.898][PDF(51 kB)][Citations]

[104][3]           B. Ruscic, J. E. Boggs, A. Burcat, A. G. Császár, J. Demaison, R. Janoschek, J. M. L. Martin, M. Morton, M. J. Rossi, J. F. Stanton, P. G. Szalay, P. R. Westmoreland, F. Zabel, and T. Bérces, IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part 1, J. Phys. Chem. Ref. Data 2005, 34, 573-656.[IF: 2.783][PDF(882 kB)][Citations]

[105][4]           A. G. Császár, G. Czakó, T. Furtenbacher, J. Tennyson, V. Szalay, S. V. Shirin, N. F. Zobov, and O. L. Polyansky, On Equilibrium Structures of the Water Molecule, J. Chem. Phys. 2005, 122, 214305.[IF: 3.138][PDF(101 kB)][Citations]

[106][5]           A. G. Császár, Theory is Gaining New Ground in Chemistry, Magy. Kém. Lapja 2005, 60, 202-207 (in Hungarian).

[107][6]           G. Tarczay, T. A. Miller, G. Czakó, and A. G. Császár, Accurate Ab Initio Determination of Spectroscopic and Thermochemical Properties of Mono- and Dichlorocarbenes, Phys. Chem. Chem. Phys. 2005, 7, 2881-2893.[IF: 2.519][PDF(659 kB)][Citations]

[108][7]           F. Pollreisz, Á. Gömöry, G. Schlosser, K. Vékey, I. Solt, and A. G. Császár, Mass Spectrometric and Quantum-Chemical Study on the Structure, Stability, and Chirality of Protonated Serine Dimers, Chem. Eur. J. 2005, 11, 5908-5916.[IF: 4.907][PDF(166 kB)][Citations]