{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T13:47:35Z","timestamp":1761486455986},"reference-count":40,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":5601,"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":[[2000,5]]},"DOI":"10.1002\/(sici)1096-987x(200005)21:7<572::aid-jcc6>3.0.co;2-x","type":"journal-article","created":{"date-parts":[[2002,8,25]],"date-time":"2002-08-25T04:06:00Z","timestamp":1030248360000},"page":"572-581","source":"Crossref","is-referenced-by-count":59,"title":["Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case"],"prefix":"10.1002","volume":"21","author":[{"given":"M. I.","family":"Bernal-Uruchurtu","sequence":"first","affiliation":[]},{"given":"M. T. C.","family":"Martins-Costa","sequence":"additional","affiliation":[]},{"given":"C.","family":"Millot","sequence":"additional","affiliation":[]},{"given":"M. F.","family":"Ruiz-L\ufffdpez","sequence":"additional","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB1","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1002\/9780470125847.ch3","volume":"7","author":"Gao","year":"1996","journal-title":"Rev Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB2","doi-asserted-by":"crossref","first-page":"4907","DOI":"10.1021\/ja00457a005","volume":"99","author":"Dewar","year":"1977","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB3","doi-asserted-by":"crossref","first-page":"397","DOI":"10.1007\/BF00548949","volume":"64","author":"Burstein","year":"1984","journal-title":"Theor Chim Acta"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB4","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1016\/0166-1280(88)80155-6","volume":"164","author":"Voityuk","year":"1988","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB5","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/ja00299a024","volume":"107","author":"Dewar","year":"1985","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB6","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1002\/jcc.540100209","volume":"10","author":"Stewart","year":"1989","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB7","doi-asserted-by":"crossref","first-page":"3892","DOI":"10.1021\/ja00088a027","volume":"116","author":"Cramer","year":"1994","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB8","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1016\/0166-1280(94)03795-M","volume":"331","author":"Cativiela","year":"1995","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB9","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1002\/jcc.540120508","volume":"12","author":"Khalil","year":"1991","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB10.1","doi-asserted-by":"crossref","first-page":"895","DOI":"10.1002\/jcc.540140803","volume":"14","author":"Csonka","year":"1993","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB10.2","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/S0166-1280(96)04872-5","volume":"393","author":"Csonka","year":"1997","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB11","first-page":"83","volume":"3","author":"Kollman","year":"1997","journal-title":"Comput Simul Biomol Syst Theor Exp Appl"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB12","doi-asserted-by":"crossref","first-page":"7449","DOI":"10.1021\/j100383a037","volume":"94","author":"Niesar","year":"1990","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB13","doi-asserted-by":"crossref","first-page":"5523","DOI":"10.1021\/j100377a021","volume":"94","author":"Saint Martin","year":"1990","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB14","doi-asserted-by":"crossref","first-page":"1588","DOI":"10.1063\/1.469781","volume":"103","author":"Bernal Uruchurtu","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB15","doi-asserted-by":"crossref","first-page":"9261","DOI":"10.1063\/1.469986","volume":"103","author":"Hern\u00e1ndez-Cobos","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB16","author":"Saint Martin","unstructured":"; ; ; ; J Chem Phys (in press)."},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB17","doi-asserted-by":"crossref","first-page":"2975","DOI":"10.1063\/1.466439","volume":"100","author":"Woon","year":"1994","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB19","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1007\/s002140050248","volume":"97","author":"Halkier","year":"1997","journal-title":"Theor Chem Acc"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB20","author":"Martins Costa","unstructured":"; CHIMISTE\/MM."},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB21","doi-asserted-by":"crossref","first-page":"7606","DOI":"10.1063\/1.471469","volume":"104","author":"Mas","year":"1996","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB22","doi-asserted-by":"crossref","first-page":"6104","DOI":"10.1063\/1.462652","volume":"96","author":"Feller","year":"1992","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB23","doi-asserted-by":"crossref","first-page":"5062","DOI":"10.1063\/1.439795","volume":"72","author":"Odutola","year":"1980","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB24","doi-asserted-by":"crossref","first-page":"1240","DOI":"10.1063\/1.458133","volume":"92","author":"Smith","year":"1990","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB25","doi-asserted-by":"crossref","first-page":"754","DOI":"10.1021\/jp972578+","volume":"102","author":"Millot","year":"1998","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB26","doi-asserted-by":"crossref","first-page":"9435","DOI":"10.1063\/1.478908","volume":"110","author":"Nielsen","year":"1999","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB27","doi-asserted-by":"crossref","first-page":"8774","DOI":"10.1063\/1.465599","volume":"99","author":"Xantheas","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB28","doi-asserted-by":"crossref","first-page":"884","DOI":"10.1021\/jp982573s","volume":"103","author":"Bernal Uruchurtu","year":"1999","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB29","doi-asserted-by":"crossref","first-page":"11568","DOI":"10.1021\/ja00104a047","volume":"116","author":"Kim","year":"1994","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB30","doi-asserted-by":"crossref","first-page":"8821","DOI":"10.1063\/1.471605","volume":"104","author":"Xantheas","year":"1996","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB31","first-page":"49","volume":"A425","author":"Kell","year":"1989","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB32","doi-asserted-by":"crossref","first-page":"9163","DOI":"10.1021\/jp9716851","volume":"101","author":"Hodges","year":"1997","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB33","doi-asserted-by":"crossref","first-page":"7899","DOI":"10.1063\/1.465667","volume":"99","author":"Pastor","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB34","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1126\/science.271.5245.59","volume":"271","author":"Cruzan","year":"1996","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB35","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1126\/science.271.5245.62","volume":"271","author":"Liu","year":"1996","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB36","doi-asserted-by":"crossref","first-page":"2241","DOI":"10.1063\/1.464204","volume":"98","author":"Corongiu","year":"1993","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB37","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1038\/381501a0","volume":"381","author":"Liu","year":"1996","journal-title":"Nature"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB38","doi-asserted-by":"crossref","first-page":"8995","DOI":"10.1021\/jp9707807","volume":"101","author":"Liu","year":"1997","journal-title":"J Phys Chem A"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB39","doi-asserted-by":"crossref","first-page":"815","DOI":"10.1126\/science.275.5301.814","volume":"275","author":"Gregory","year":"1997","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X-BIB40","doi-asserted-by":"crossref","first-page":"5886","DOI":"10.1063\/1.477211","volume":"109","author":"Kim","year":"1998","journal-title":"J Chem Phys"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F(SICI)1096-987X(200005)21:7%3C572::AID-JCC6%3E3.0.CO;2-X","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(200005)21:7%3C572::AID-JCC6%3E3.0.CO;2-X","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T10:23:51Z","timestamp":1625135031000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,5]]},"references-count":40,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2000,5]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(200005)21:7<572::aid-jcc6>3.0.co;2-x","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2000,5]]}}}