2006

[109][1]           T. Furtenbacher, G. Czakó, B. T. Sutcliffe, A. G. Császár, and V. Szalay, The Methylene Saga Continues: Stretching Fundamentals and Zero-Point Energy of X3B1 CH2, J. Mol. Struct. (J. Demaison Special Issue) 2006, 780-781, 283-294.[IF: 1.495][PDF(218 kB)][Citations]

[110][2]           G. Czakó, V. Szalay, and A. G. Császár, Finite Basis Representations with Nondirect Product Basis Functions Having Structure Similar to that of Spherical Harmonics, J. Chem. Phys. 2006, 124, 014110.[IF: 3.166][PDF(485 kB)][Citations]

[111][3]           S. V. Shirin, O. L. Polyansky, N. F. Zobov, R. I. Ovsyannikov, A. G. Császár, and J. Tennyson, Spectroscopically Determined Potential Energy Surfaces of the H216O, H217O, and H218O Isotopologues of Water, J. Mol. Spectrosc. 2006, 236, 216-223.[IF: 1.260][PDF(203 kB)][Citations]

[112][4]           W. D. Allen, A. Bődi, V. Szalay, and A. G. Császár, Adiabatic Approximations to Internal Rotation, J. Chem. Phys. 2006, 124, 224310.[IF: 3.166][PDF(165 kB)][Citations]

[113][5]           G. Tasi, R. Izsák, G. Matisz, A. G. Császár, M. Kállay, B. Ruscic, and J. F. Stanton, The Origin of Systematic Error in the Standard Enthalpies of Formation of Alkanes Computed via Atomization Schemes, Chem. Phys. Chem. 2006, 7, 1664-1667.[IF: 3.449][PDF(76 kB)][Citations]

[114][6]           Y. J. Bomble, J. Vázquez, M. Kállay, C. Michauk, P. G. Szalay, A. G. Császár, J. Gauss, J. F. Stanton, High Accuracy Extrapolated Ab Initio Thermochemistry. II.  Minor Improvements to the Protocol and a Vital Simplification, J. Chem. Phys. 2006, 125, 064108.[IF: 3.166][PDF(263 kB)][Citations]

[115][7]           P. Barletta, S. V. Shirin, N. F. Zobov, O. L. Polyansky, J. Tennyson, E. F. Valeev, and A. G. Császár, The CVRQD Ab Initio Ground-State Adiabatic Potential Energy Surfaces for the Water Molecule, J.Chem. Phys. 2006, 125, 204307.[IF: 3.166][PDF(209 kB)][Citations]

[116][8]           J. Demaison, A. G. Császár, and A. Dehayem-Kamadjeu, The Case of the Weak N-X Bond: Ab Initio, Semi-Experimental, and Experimental Equilibrium Structures of XNO (X = H, F, Cl, HO) and FNO2, J. Phys. Chem. A 2006, 110, 13609-13617.[IF: 3.047][PDF(81 kB)][Citations]

[117][9]           A. G. Császár, T. Furtenbacher, and G. Czakó, The Greenhouse Effect on Earth and the Complete Spectroscopy of Water, Magy. Kém. Foly. 2006, 112, 123-128 (in Hungarian).[PDF(87 kB)][Citations]