Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Albernaz, Alessandra F., Aquilanti, Vincenzo, Barreto, Patricia R. P., Caglioti, Concetta, Cruz, Ana Claudia P. S., Grossi, Gaia, Lombardi, Andrea, Palazzetti, FedericoLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.6b01718
Date:
April, 2016
File:
PDF, 4.83 MB
english, 2016