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However, when two molecular fragments bind through complex interactions involving multiple concurrent charge flows, ordinary CD analysis is capable of providing only an averaged picture of the related charge-flow profiles and no detailed information on each of them. In this article, we combine CD analysis with a Hirshfeld partitioning of the molecular charge redistribution for a local analysis on focused portions of the molecule, allowing for a detailed characterization of one charge flow at a time. The resulting scheme\u2014the local charge-displacement (LCD) analysis\u2014is tested on the intriguing case of the dimethyl sulfide\u2013sulfur dioxide complex, characterized by concurrent charge flows relating to a sulfur\u2013sulfur homochalcogen interaction and a pair of hydrogen bonds. The LCD scheme is then applied to the analysis of multiple hydrogen bonding in the acetic acid dimer, of base-pairing interactions in DNA, and of ambifunctional hydrogen bonding in the ammonia\u2013pyridine complex.<\/jats:p>","DOI":"10.1063\/5.0095142","type":"journal-article","created":{"date-parts":[[2022,7,29]],"date-time":"2022-07-29T15:04:36Z","timestamp":1659107076000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":1,"title":["Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions"],"prefix":"10.1063","volume":"157","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5310-8299","authenticated-orcid":false,"given":"G.","family":"Nottoli","sequence":"first","affiliation":[{"name":"Scuola Normale Superiore , Piazza dei Cavalieri 7, 56126 Pisa, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1591-9189","authenticated-orcid":false,"given":"B.","family":"Ballotta","sequence":"additional","affiliation":[{"name":"Scuola Normale Superiore , Piazza dei Cavalieri 7, 56126 Pisa, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8525-7777","authenticated-orcid":false,"given":"S.","family":"Rampino","sequence":"additional","affiliation":[{"name":"Scuola Normale Superiore , Piazza dei Cavalieri 7, 56126 Pisa, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2022,8,23]]},"reference":[{"key":"2023081006114295400_c1","doi-asserted-by":"publisher","first-page":"762","DOI":"10.1021\/ja02261a002","article-title":"The atom and the molecule","volume":"38","year":"1916","journal-title":"J. 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