{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,4]],"date-time":"2025-10-04T08:05:28Z","timestamp":1759565128097},"reference-count":14,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3386,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,6]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The theoretical framework developed and tested in our previous study of weakly bound systems is applied to a sequence of bimolecular cations: (Ne<jats:italic>X<\/jats:italic>)<jats:sup>+<\/jats:sup> and (Ar<jats:italic>X<\/jats:italic>)<jats:sup>+<\/jats:sup>, where <jats:italic>X<\/jats:italic> = HF, H<jats:sub>2<\/jats:sub>O, and HCl. The equilibrium structure, binding energies, and vibrational frequencies for this sequence of bimolecular cations are computed using several post\u2010Hartree\u2010Fock methods and triple zeta basis sets. In all cases, the absolute minima in the potential energy surface involves a hydrogen bond. The existence and stability of the aforementioned systems are established with binding energies ranging from 0.1 eV to 1.0 eV. The stability for the systems is explained in terms of the possible dissociative channels and changes in the electron density of the constituent monomers. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160612","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:09:55Z","timestamp":1104628195000},"page":"768-776","source":"Crossref","is-referenced-by-count":9,"title":["The electronic structure of weakly bound systems. II. Ne<i>X<\/i><sup>+<\/sup> and Ar<i>X<\/i><sup>+<\/sup>(<i>X<\/i> = H<sub>2<\/sub>O, HCl, and HF) bimolecular cations"],"prefix":"10.1002","volume":"16","author":[{"given":"Gustavo E.","family":"L\u00f3pez","sequence":"first","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","unstructured":"G. E.L\u00f3pez J. Comp. Chem. preceding articles referred to here as Article I."},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00223a010"},{"key":"e_1_2_1_4_2","volume-title":"Gaussian 90","author":"Frisch M.","year":"1990"},{"key":"e_1_2_1_5_2","first-page":"341","volume-title":"Ab Initio Methods in Quantum Chemistry Part I","author":"Schlegel H. B.","year":"1987"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(89)85051-1"},{"key":"e_1_2_1_6_3","doi-asserted-by":"publisher","DOI":"10.1007\/BF01025842"},{"key":"e_1_2_1_6_4","doi-asserted-by":"publisher","DOI":"10.1063\/1.454400"},{"key":"e_1_2_1_7_2","first-page":"181","volume":"108","author":"Giano L.","year":"1978","journal-title":"Chim. Ital."},{"key":"e_1_2_1_8_2","volume":"945","author":"Van Duijneveldt F. B.","year":"1971","journal-title":"IBM Res. J."},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.438955"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1740120"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(73)80309-4"},{"key":"e_1_2_1_11_3","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560080506"},{"key":"e_1_2_1_12_2","unstructured":"E. R.Davidson MELD Quantum Chemistry Group Indiana University 1985."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540160612","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540160612","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,27]],"date-time":"2023-10-27T00:04:08Z","timestamp":1698365048000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540160612"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,6]]},"references-count":14,"journal-issue":{"issue":"6","published-print":{"date-parts":[[1995,6]]}},"alternative-id":["10.1002\/jcc.540160612"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540160612","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1995,6]]}}}