[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. [PDF (218 kB)]
[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. https://doi.org/10.1063/1.2141947
[PDF (485 kB)]
[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.
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216-223. https://doi.org/10.1016/j.jms.2006.01.012 [PDF (203 kB)]
[4] W. D. Allen, A. Bődi,
V. Szalay, and A. G. Császár,
Adiabatic Approximations to Internal Rotation, J. Chem. Phys. 2006, 124,
224310. https://doi.org/10.1063/1.2207614 [PDF (165 kB)]
[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. https://doi.org/10.1002/cphc.200600224
[PDF (76 kB)]
[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. https://doi.org/10.1063/1.2206789 [PDF (263 kB)]
[7] P. Barletta, S. V. Shirin, N. F. Zobov, O.
L. Polyansky, J. Tennyson, E. F. Valeev, and A. G. Császár, CVRQD Ab Initio Ground-State Adiabatic
Potential Energy Surfaces for the Water Molecule, J. Chem. Phys. 2006, 125,
204307. https://doi.org/10.1063/1.2378766 [PDF (209 kB)]
[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.
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[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)]