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Here, for the first time, we extend the use of this mathematical toolbox for the description of electron-deficient bonds. We start by verifying the theory on the textbook example of a molecule with three-center two-electron bonds, namely, diborane(6). We then show that the correlation theory of the chemical bond is able to properly describe the bonding situation in more exotic molecules which have been synthesized and characterized only recently, in particular, the diborane molecule with four hydrogen atoms [diborane(4)] and a neutral zerovalent s-block beryllium complex, whose surprising stability was attributed to a strong three-center two-electron \u03c0 bond stretching across the C\u2013Be\u2013C core. Our approach is of high importance especially in the light of a constant chase after novel compounds with extraordinary properties where the bonding is expected to be unusual.<\/jats:p>","DOI":"10.1063\/1.5093497","type":"journal-article","created":{"date-parts":[[2019,5,30]],"date-time":"2019-05-30T15:47:24Z","timestamp":1559231244000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":17,"title":["Quantum information-based analysis of electron-deficient bonds"],"prefix":"10.1063","volume":"150","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2107-3095","authenticated-orcid":false,"given":"Jan","family":"Brandejs","sequence":"first","affiliation":[{"name":"J. 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