2011
[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.
[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.
[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]
[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]
[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]
[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]
[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]
[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]