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Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b01070
Abstract: A thorough analysis of molecular vibrations in the binary system hydrogen chloride/water is presented considering a set of small mixed and pure clusters. In addition to the conventional normal-mode analysis based on the diagonalization of…
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Keywords:
hydrogen chloride;
anharmonicity constants;
anharmonicity vibrational;
anharmonicity ... See more keywords