A rotamer energy level study of sulfuric acid.
Partanen L, Pesonen J, Sjöholm E, Halonen L.
Partanen L, et al. Among authors: pesonen j.
J Chem Phys. 2013 Oct 14;139(14):144311. doi: 10.1063/1.4823836.
J Chem Phys. 2013.
PMID: 24116623
However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally derived by Pesonen [J. Chem. Phys. 139, 144310 (2013)]. In this study, we compare the effects of this correction to several di …
However, the presence of the rigid constraints also affects the kinetic energy operator resulting in the frozen mode correction, originally …