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New structures were identified, and their interaction energies were studied by means of symmetry-adapted perturbation theory, up to second-order corrections: this provided insight into the physical nature of the interaction in the complexes. The energy components were discussed, in connection to anharmonic frequency analysis. The results show that the induction and dispersion corrections were the main driving forces of the interaction, and that their relative contributions correlated with the complexation effects seen in the vibrational stretching modes of Xe\u2013H and H\u2013X. Reasonably clear patterns of interaction were found for different structures. Our findings corroborate previous findings with better methods, and provide new data. These results suggest that the entire group of the studied complexes can be labelled as \u201cnaturally blueshifting\u201d, except for the complexes with HI.<\/jats:p>","DOI":"10.3390\/molecules28135148","type":"journal-article","created":{"date-parts":[[2023,7,3]],"date-time":"2023-07-03T00:53:16Z","timestamp":1688345596000},"page":"5148","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Complexes of HXeY with HX (Y, X = F, Cl, Br, I): Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2804-5078","authenticated-orcid":false,"given":"Bartosz","family":"Dzi\u0119cio\u0142","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Warsaw, 02-089 Warsaw, Poland"},{"name":"Department of Physics, Faculty of Science, Graduate School of Science, The University of Tokyo, Tokyo 113-8654, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3367-758X","authenticated-orcid":false,"given":"Irina","family":"Osadchuk","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, School of Science, Tallinn University of Technology, 12618 Tallinn, Estonia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2586-5855","authenticated-orcid":false,"given":"Janusz","family":"Cukras","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Warsaw, 02-089 Warsaw, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0396-4537","authenticated-orcid":false,"given":"Jan","family":"Lundell","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Jyv\u00e4skyl\u00e4, 40014 Jyv\u00e4skyl\u00e4, Finland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,6,30]]},"reference":[{"key":"ref_1","first-page":"218","article-title":"Xenon Hexafluoroplatinate(v) Xe+[PtF6]\u2212","volume":"197\u2013236","author":"Bartlett","year":"1962","journal-title":"Proc. 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