Exploring HCl–HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications
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DOI: 10.1039/d3ra04387h
Abstract: In this paper, we present a comprehensive analysis of HCl–HCl interactions, including QZVPP calculations, energy fitting, conformation validation, and the determination of the second virial coefficient B using improved Lennard-Jones (ILJ) potential parameters. To acquire… read more here.
Keywords: ilj potential; second virial; hcl interactions; hcl ... See more keywords