2011

[156][1]           W. D. Allen and A. G. Császár, Quantum Theory of Equilibrium Molecular Structures, in Equilibrium Molecular Structures: From Spectroscopy to Quantum Chemistry, eds. J. Demaison, J. E. Boggs, and A. G. Császár, CRC Press: Boca Raton, 2011, pp. 1-28.

[157][2]           A. G. Császár, Structures Averaged over Nuclear Motions, in Equilibrium Molecular Structures: From Spectroscopy to Quantum Chemistry, eds. J. Demaison, J. E. Boggs, and A. G. Császár, CRC Press: Boca Raton, 2011, pp. 233-262.

[158][3]           C. Fábri, E. Mátyus, and A. G. Császár, Rotating Full- and Reduced-Dimensional Quantum Chemical Models of Molecules,  J. Chem. Phys. 2011, 134, 074105. http://dx.doi.org/10.1063/1.3533950 [PDF(221 kB)] [Citations]

[159][4]           N. F. Zobov, S. V. Shirin, L. Lodi, B. C. Silva, J. Tennyson, A. G. Császár, and O. L. Polyansky, First-Principles Rotation-Vibration Spectrum of Water Above Dissociation,  Chem. Phys. Lett. 2011, 507, 48-51. http://dx.doi.org/10.1016/j.cplett.2011.03.052 [PDF(515 kB)] [Citations]

[160][5]           J. Sarka, A. G. Császár, and P. R. Schreiner, Do the Mercaptocarbene (H-C-S-H) and Selenocarbene (H-C-Se-H) Congeners of Hydroxycarbene (H-C-O-H) Undergo 1,2-H-Tunneling?,  Coll. Czech Chem. Comm. 2011, 76(6), 645-667. http://dx.doi.org/10.1135/cccc2011053 [PDF(642 kB)] [Citations]

[161][6]           A. G. Császár and T. Furtenbacher, Spectroscopic Networks, J. Mol. Spectrosc. 2011, 266, 99-103. http://dx.doi.org/10.1016/j.jms.2011.03.031 [PDF(613 kB)] [Citations]

[162][7]           C. Fábri, E. Mátyus, T. Furtenbacher, B. Mihály, T. Zoltáni, L. Nemes, and A. G. Császár, Variational Quantum Mechanical and Active Database Approaches to the Rotational-Vibrational Spectroscopy of Ketene,  J. Chem. Phys. 2011, 135, 094307. http://dx.doi.org/10.1063/1.3625404 [PDF(4088 kB)] [Citations]

[163][8]           J. Demaison, A. G. Császár, L. D. Margulčs, and H. D. Rudolph, Equilibrium Structures of Heterocyclic Molecules with Large Principal Axis Rotations upon Isotopic Substitution, J. Phys. Chem. A 2011, 115, 14078-14091. http://dx.doi.org/10.1021/jp2063595 [PDF(1645 kB)] [Citations]