Article ; Online: Exploring HCl-HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications.
RSC advances
2024 Volume 14, Issue 3, Page(s) 1890–1901
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 ... ...
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 |
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Language | English |
Publishing date | 2024-01-08 |
Publishing country | England |
Document type | Journal Article |
ISSN | 2046-2069 |
ISSN (online) | 2046-2069 |
DOI | 10.1039/d3ra04387h |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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