{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,10]],"date-time":"2025-06-10T07:47:14Z","timestamp":1749541634029},"reference-count":41,"publisher":"Wiley","issue":"14","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":5722,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Comput. Chem."],"published-print":{"date-parts":[[2000,11,15]]},"DOI":"10.1002\/1096-987x(20001115)21:14<1229::aid-jcc2>3.0.co;2-9","type":"journal-article","created":{"date-parts":[[2004,11,14]],"date-time":"2004-11-14T03:38:49Z","timestamp":1100403529000},"page":"1229-1242","source":"Crossref","is-referenced-by-count":21,"title":["Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3\/MM4)"],"prefix":"10.1002","volume":"21","author":[{"given":"Norman L.","family":"Allinger","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kathleen A.","family":"Durkin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2000]]},"reference":[{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB1","volume-title":"Molecular Mechanics","author":"Burkert","year":"1982","unstructured":"; Molecular Mechanics; American Chemical Society: Washington, DC, 1982."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB2","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1002\/jcc.540160406","volume":"16","author":"Behnejad","year":"1995","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB3","doi-asserted-by":"crossref","first-page":"6348","DOI":"10.1063\/1.457402","volume":"91","author":"Barrow","year":"1989","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB4","doi-asserted-by":"crossref","first-page":"1077","DOI":"10.1002\/jcc.540140909","volume":"14","author":"Waldman","year":"1993","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB5","doi-asserted-by":"crossref","first-page":"1124","DOI":"10.1002\/jcc.540080809","volume":"8","author":"Wiberg","year":"1987","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB6","author":"Miller","unstructured":"unpublished."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB8","doi-asserted-by":"crossref","first-page":"4345","DOI":"10.1021\/ja00993a017","volume":"89","author":"Allinger","year":"1967","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB9.1","doi-asserted-by":"crossref","first-page":"8551","DOI":"10.1021\/ja00205a001","volume":"111","author":"Allinger","year":"1989","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB9.2","doi-asserted-by":"crossref","first-page":"8566","DOI":"10.1021\/ja00205a002","volume":"111","author":"Lii","year":"1989","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB9.3","doi-asserted-by":"crossref","first-page":"8576","DOI":"10.1021\/ja00205a003","volume":"111","author":"Lii","year":"1989","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.1","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<642::AID-JCC6>3.0.CO;2-U","volume":"17","author":"Allinger","year":"1996","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.2","first-page":"669","volume":"17","author":"Nevins","year":"1996","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.3","first-page":"695","volume":"17","author":"Nevins","year":"1996","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.4","doi-asserted-by":"crossref","first-page":"730","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<730::AID-JCC9>3.0.CO;2-V","volume":"17","author":"Nevins","year":"1996","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.5","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<747::AID-JCC10>3.0.CO;2-5","volume":"17","author":"Allinger","year":"1996","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB10.6","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1002\/jcc.540160508","volume":"16","author":"Dillen","year":"1995","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB11","first-page":"8","volume-title":"Mathematics and Computational Concepts in Chemistry","author":"Allinger","year":"1986","unstructured":"; ; ; Mathematics and Computational Concepts in Chemistry; ; Eds.; Chichester, UK, 1986, p. 8."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB12","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1021\/cr60211a005","volume":"61","author":"Bent","year":"1961","journal-title":"Chem Rev"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB13","doi-asserted-by":"crossref","first-page":"971","DOI":"10.1002\/jcc.540130807","volume":"13","author":"Veenstra","year":"1992","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB14.1","doi-asserted-by":"crossref","first-page":"7452","DOI":"10.1021\/ja00133a018","volume":"117","author":"Timofeeva","year":"1995","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB14.2","doi-asserted-by":"crossref","first-page":"9603","DOI":"10.1021\/j100023a044","volume":"99","author":"Allinger","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB15","doi-asserted-by":"crossref","first-page":"4044","DOI":"10.1021\/jo00118a022","volume":"60","author":"Sakakibara","year":"1995","journal-title":"J Org Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB16","doi-asserted-by":"crossref","first-page":"5143","DOI":"10.1063\/1.473993","volume":"106","author":"Allinger","year":"1997","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB17","author":"Frisch","unstructured":"; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Gaussian92; Gaussian Inc.: Pittsburgh, PA."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB18","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/0166-1280(94)80122-3","volume":"307","author":"Tsuzuki","year":"1994","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB19","volume-title":"A Handbook of Computational Chemistry","author":"Clark","year":"1985","unstructured":"A Handbook of Computational Chemistry; Wiley: New York, 1985."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB20","doi-asserted-by":"crossref","first-page":"553","DOI":"10.1080\/00268977000101561","volume":"19","author":"Boys","year":"1970","journal-title":"Mol Phys"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB21","doi-asserted-by":"crossref","first-page":"2418","DOI":"10.1063\/1.448335","volume":"82","author":"Schwenke","year":"1985","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB22","doi-asserted-by":"crossref","first-page":"2279","DOI":"10.1063\/1.450390","volume":"84","author":"Frisch","year":"1986","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB23","doi-asserted-by":"crossref","first-page":"1593","DOI":"10.1002\/(SICI)1096-987X(19991130)20:15<1593::AID-JCC1>3.0.CO;2-A","volume":"20","author":"Lii","year":"1999","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB24","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1039\/c39830000053","volume":"1","author":"Ermer","year":"1983","journal-title":"J Chem Soc Chem Commun"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB25.1","volume-title":"Molecular Structures and Vibrations","author":"Kuchitsu","year":"1972","unstructured":"(a) ; Molecular Structures and Vibrations; Ed.; Elsevier Publishing Company: New York, 1972;"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB25.2","doi-asserted-by":"crossref","first-page":"8763","DOI":"10.1021\/jp953630+","volume":"100","author":"Ma","year":"1996","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB25.3","doi-asserted-by":"crossref","first-page":"2570","DOI":"10.1021\/ja9629524","volume":"119","author":"Ma","year":"1997","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB25.4","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1016\/S0022-2860(96)09640-8","volume":"413-414","author":"Ma","year":"1997","journal-title":"J Mol Struct"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB25.5","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198555568.001.0001","volume-title":"Accurate Molecular Structures","author":"Domenicano","year":"1992","unstructured":"(e) ; Eds. Accurate Molecular Structures; Oxford Science Publications: New York, 1992."},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB26","doi-asserted-by":"crossref","first-page":"1337","DOI":"10.1093\/carcin\/13.8.1337","volume":"13","author":"Black","year":"1992","journal-title":"Carcinogenesis"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB27","first-page":"1686","volume":"C49","author":"Gallucci","year":"1993","journal-title":"Acta Crystallogr"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB28","doi-asserted-by":"crossref","first-page":"4295","DOI":"10.1246\/bcsj.61.4295","volume":"61","author":"Oki","year":"1988","journal-title":"Bull Chem Soc Jpn"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB30.1","doi-asserted-by":"crossref","DOI":"10.1002\/1096-987X(20000730)21:10<813::AID-JCC1>3.0.CO;2-T","volume":"21","author":"Ma","year":"2000","journal-title":"J Comput Chem"},{"key":"10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9-BIB30.2","doi-asserted-by":"crossref","first-page":"1716","DOI":"10.1021\/ja00345a003","volume":"105","author":"Dosen-Micovic","year":"1983","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%2F1096-987X(20001115)21:14%3C1229::AID-JCC2%3E3.0.CO;2-9","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/1096-987X(20001115)21:14%3C1229::AID-JCC2%3E3.0.CO;2-9","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T09:38:44Z","timestamp":1705311524000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/1096-987X(20001115)21:14<1229::AID-JCC2>3.0.CO;2-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000]]},"references-count":41,"journal-issue":{"issue":"14","published-print":{"date-parts":[[2000,11,15]]}},"URL":"https:\/\/doi.org\/10.1002\/1096-987x(20001115)21:14<1229::aid-jcc2>3.0.co;2-9","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2000]]}}}