{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T12:44:15Z","timestamp":1759063455527},"reference-count":12,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3659,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1994,9]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Although there is a similarity in the orbital interaction scheme between quinhydrone and <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032,<jats:italic>N<\/jats:italic>\u2032\u2010tetramethyl\u2010<jats:italic>p<\/jats:italic>\u2010diaminobenzene\u2010chloranil complex, the stacking conformations are different from each other. The former prefers the half\u2010stacked conformation, whereas the latter prefers the completely stacked conformation. We have done <jats:italic>ab initio<\/jats:italic> molecular orbital calculations and decomposition analyses of the intermolecular interaction energies to clarify the origin of the different stacking conformations. It was concluded that the main origin is the difference in the steric part of the interaction energies. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150909","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:06:14Z","timestamp":1104627974000},"page":"1013-1018","source":"Crossref","is-referenced-by-count":9,"title":["Decomposition analyses of the intermolecular interaction energies in two \u03c0\uf8ff\u03c0 stacking complexes: Quinhydrone and <i>N<\/i>,<i>N<\/i>,<i>N<\/i>\u2032, <i>N<\/i>\u2032\u2010tetramethyl\u2010<i>P<\/i>\u2010diaminobenzene\u2010chloranil complex"],"prefix":"10.1002","volume":"15","author":[{"given":"Yasuyuki","family":"Kurita","sequence":"first","affiliation":[]},{"given":"Chiyozo","family":"Takayama","sequence":"additional","affiliation":[]},{"given":"Shizuya","family":"Tanaka","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.3823899"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(82)83113-8"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/0166-1280(87)87002-1"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00170a016"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.452037"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1039\/f29726801072"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740868002451"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740868003079"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00088a005"},{"key":"e_1_2_1_12_2","unstructured":"M. J. Frisch G. W. Trucks M. Head\u2010Gordon P. M. W. Gill M. W. Wong J. B. Foresman B. G. Johnson H. B. Schlegel M. A. Robb E. S. Replogle R. Gomperts J. L. Andres K. Raghavachari J. S. Binkley C. Gonzalez R. L. Martin D. J. Fox D. J. Defrees J. Baker J. J. P. Stewart J. A. Pople 1992 Gaussian Inc. Pittsburgh PA"},{"key":"e_1_2_1_13_2","unstructured":"W. J.Hehre SPARTAN Version 2.0 Wavefunction Inc. Irvine CA 1991."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540150909","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540150909","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,24]],"date-time":"2023-10-24T00:48:05Z","timestamp":1698108485000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540150909"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1994,9]]},"references-count":12,"journal-issue":{"issue":"9","published-print":{"date-parts":[[1994,9]]}},"alternative-id":["10.1002\/jcc.540150909"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540150909","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1994,9]]}}}