2015

[198][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)]

[199][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 25^th Austin Symposium on Molecular Structure and Dynamics) 2015, 119, 1731-1746. http://dx.doi.org/10.1021/jp5084168 [PDF (463 kB)]

[200][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)]

[201][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)]

[202][5] J. Tennyson and A. G. Császár, Spectroscopy of Water, Chem. Int. 2015, 37, 25-26. [PDF (1075 kB)]

[203][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)]

[204][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)]