[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. Spectrosc. 2006, 236, 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. Chem. A 2006, 110, 13609-13617. https://doi.org/10.1021/jp064769v [PDF (81 kB)]

[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)]