[1] T. Szidarovszky
and A. G. Császár,
Toward Accurate Thermochemistry of the 24MgH, 25MgH, and 26MgH
Molecules at Elevated Temperatures: Corrections Due to Unbound States, J. Chem. Phys. 2015, 142,
014103. http://dx.doi.org/10.1063/1.4904858 [PDF
(2002 kB)]
[2] A.
G. Császár, J. Demaison,
and H. D. Rudolph, Equilibrium Structures of Three-, Four-, Five-, Six-, and
Seven-Membered Unsaturated N-containing Heterocycles, J. Phys. Chem. A (Special
Issue on the 25th Austin Symposium on Molecular Structure and
Dynamics) 2015, 119, 1731-1746. http://dx.doi.org/10.1021/jp5084168
[PDF (463 kB)]
[3] A. R. Al Derzi,
T. Furtenbacher, J. Tennyson, S. N. Yurchenko, and A. G.
Császár, MARVEL Analysis of the Measured
High-Resolution Spectra of 14NH3, J. Quant. Spectrosc. Rad. Transfer 2015, 116,
117-130. http://dx.doi.org/10.1016/j.jqsrt.2015.03.034
[PDF (1621 kB)]
[4] P. R. Schreiner, J. P. Wagner, H. P. Reisenauer, D. Gerbig, D. Ley, J. Sarka, A. G. Császár, A. Vaughn, and W. D. Allen, Domino Tunneling, J. Am. Chem. Soc. 2015, 137, 7828-7834. http://dx.doi.org/10.1021/jacs.5b03322 [PDF (650 kB)]
[5] J. Tennyson and A. G. Császár, Spectroscopy of Water, Chem. Int. 2015, 37, 25-26.
[PDF (1075 kB)]
[6] J. Sarka, C. Fábri, T. Szidarovszky, A. G. Császár,
Z. Lin, and A. B. McCoy, Modelling Rotations, Vibrations, and Rovibrational Couplings in Astructural
Molecules – A Case Study Based on the H5+ Molecular Ion, Mol. Phys. (Nicholas C.
Handy Special Issue) 2015, 113, 1873-1883. http://dx.doi.org/10.1080/00268976.2015.1020074
[PDF (509 kB)]
[7] A.
G. Császár and T. Furtenbacher,
Zero-Cost Estimation of Zero-Point Energies, J. Phys. Chem. A 2015, 119, 10229-10240. http://dx.doi.org/10.1021/acs.jpca.5b07156 [PDF (433 kB)]