[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)]
[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)]
[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)]
[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)]
[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)]
[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)]