{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,30]],"date-time":"2026-01-30T05:41:58Z","timestamp":1769751718722,"version":"3.49.0"},"reference-count":28,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":4177,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1993,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>A systematic SCF study has been undertaken to compare the conventional <jats:italic>a posteriori<\/jats:italic> Boys\u2013Bernardi BSSE correction scheme with our recent CHA\/F method in which BSSE is excluded in <jats:italic>a priori<\/jats:italic> manner. Potential curves have been obtained for nine simple hydrogen\u2010bonded systems by using nine different basis sets for each. It is concluded that the difference between the <jats:italic>a posteriori<\/jats:italic> BB and the <jats:italic>a priori<\/jats:italic> CHA schemes diminishes much faster when the basis set improves than BSSE disappears from the uncorrected SCF results. This fact gives an additional confidence in the CHA results, permitting one to draw the explicit conclusion that, at the SCF level of theory, the <jats:italic>a priori<\/jats:italic> CHA\/F scheme can be considered the ultimate solution of the BSSE problem for weakly bonded systems. \u00a9 1993 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540140404","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:00:06Z","timestamp":1104627606000},"page":"401-409","source":"Crossref","is-referenced-by-count":42,"title":["Comparison of <i>a posteriori<\/i> and <i>a priori<\/i> BSSE correction schemes for SCF intermolecular energies"],"prefix":"10.1002","volume":"14","author":[{"given":"Pierre","family":"Valiron","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"\u00c1gnes","family":"Vib\u00f3k","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Istv\u00e1n","family":"Mayer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(69)80118-1"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/9780470142943.ch9"},{"key":"e_1_2_1_4_3","doi-asserted-by":"publisher","DOI":"10.1021\/cr00088a004"},{"key":"e_1_2_1_4_4","doi-asserted-by":"publisher","DOI":"10.1021\/cr00088a007"},{"key":"e_1_2_1_4_5","doi-asserted-by":"publisher","DOI":"10.1021\/cr00088a008"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560230203"},{"key":"e_1_2_1_6_2","first-page":"145","volume-title":"Modelling of Structure and Properties of Molecules","author":"Mayer I.","year":"1987"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(87)80427-X"},{"key":"e_1_2_1_7_3","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(87)80486-4"},{"key":"e_1_2_1_7_4","doi-asserted-by":"publisher","DOI":"10.1016\/0166-1280(88)80043-5"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560360307"},{"key":"e_1_2_1_9_2","first-page":"281","volume":"23","author":"Mayer I.","year":"1989","journal-title":"Int. J. Quantum Chem., Quantum Chem. Symp."},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560400112"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560430607"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/0166-1280(91)85271-8"},{"key":"e_1_2_1_13_2","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1007\/BF03054155","volume":"70","author":"Mayer I.","year":"1991","journal-title":"Acta Phys. Hung."},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(91)87126-V"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.461540"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.463807"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF00527663"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(92)85415-7"},{"key":"e_1_2_1_19_2","unstructured":"P.Nagy personal communication."},{"key":"e_1_2_1_20_2","unstructured":"1991 IBM Corporation Center for Scientific & Engineering Computations Kingston NY"},{"key":"e_1_2_1_21_2","doi-asserted-by":"crossref","DOI":"10.1007\/978-94-011-3032-5","volume-title":"Modern Techniques in Computational Chemistry: MOTECC\u201091","author":"Clementi E.","year":"1991"},{"key":"e_1_2_1_22_2","unstructured":"M.J. Frisch M. Head\u2010Gordon H.B. Schlegel K. Raghavachari J.S. Binkley C. Gonzalez D.J. Defrees D.J. Fox R.A. Whiteside R. Seeger C.F. Melius J. Baker R.L. Martin L.R. Kahn J.J.P. Stewart E.M. Fluder S. Topiol J.A. Pople 1988 Gaussian Inc. Pittsburgh PA"},{"key":"e_1_2_1_23_2","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1007\/978-1-4612-6333-3","volume-title":"A Practical Guide to Splines, Applied Mathematical Sciences","author":"de Boor C.","year":"1978"},{"key":"e_1_2_1_24_2","doi-asserted-by":"crossref","first-page":"955","DOI":"10.1021\/ja00838a001","volume":"97","author":"Kollman P.","year":"1955","journal-title":"J. Am. Chem. Soc."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540140404","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540140404","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,26]],"date-time":"2023-10-26T06:34:32Z","timestamp":1698302072000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540140404"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1993,4]]},"references-count":28,"journal-issue":{"issue":"4","published-print":{"date-parts":[[1993,4]]}},"alternative-id":["10.1002\/jcc.540140404"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540140404","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1993,4]]}}}