{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,28]],"date-time":"2026-01-28T07:50:34Z","timestamp":1769586634496,"version":"3.49.0"},"reference-count":27,"publisher":"Elsevier BV","issue":"1","license":[{"start":{"date-parts":[[1978,1,1]],"date-time":"1978-01-01T00:00:00Z","timestamp":252460800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Computers & Chemistry"],"published-print":{"date-parts":[[1978,1]]},"DOI":"10.1016\/0097-8485(78)80005-9","type":"journal-article","created":{"date-parts":[[2002,7,25]],"date-time":"2002-07-25T09:10:54Z","timestamp":1027588254000},"page":"25-29","source":"Crossref","is-referenced-by-count":23,"title":["Analytical first derivatives of the energy in MNDO"],"prefix":"10.1016","volume":"2","author":[{"given":"Michael J.S.","family":"Dewar","sequence":"first","affiliation":[]},{"given":"Yukio","family":"Yamaguchi","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"key":"10.1016\/0097-8485(78)80005-9_BIB1","doi-asserted-by":"crossref","first-page":"1285","DOI":"10.1021\/ja00839a001","volume":"97","author":"Bingham","year":"1975","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB2","doi-asserted-by":"crossref","first-page":"542","DOI":"10.1098\/rspa.1950.0036","volume":"200","author":"Boys","year":"1950","journal-title":"Proc. R. Soc. Lond. Ser. A"},{"key":"10.1016\/0097-8485(78)80005-9_BIB3","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1093\/comjnl\/10.4.406","volume":"10","author":"Davidon","year":"1968","journal-title":"Comput. J."},{"key":"10.1016\/0097-8485(78)80005-9_BIB4","doi-asserted-by":"crossref","first-page":"1232","DOI":"10.1063\/1.1731723","volume":"34","author":"Dewar","year":"1961","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(78)80005-9_BIB5","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1098\/rspa.1961.0209","volume":"264","author":"Dewar","year":"1961","journal-title":"Proc. R. Soc. Lond. Ser. A"},{"key":"10.1016\/0097-8485(78)80005-9_BIB6","doi-asserted-by":"crossref","first-page":"2310","DOI":"10.1021\/j100818a007","volume":"66","author":"Dewar","year":"1962","journal-title":"J. Phys. Chem."},{"key":"10.1016\/0097-8485(78)80005-9_BIB7","doi-asserted-by":"crossref","first-page":"3089","DOI":"10.1021\/ja00989a001","volume":"89","author":"Dewar","year":"1967","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB8","doi-asserted-by":"crossref","first-page":"590","DOI":"10.1021\/ja00706a029","volume":"92","author":"Dewar","year":"1970","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB9","unstructured":"Dewar, M.J.S. & Komornicki, A. (1974), unpublished work."},{"key":"10.1016\/0097-8485(78)80005-9_BIBA","doi-asserted-by":"crossref","first-page":"4899","DOI":"10.1021\/ja00457a004","volume":"99","author":"Dewar","year":"1977","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIBB","doi-asserted-by":"crossref","first-page":"4907","DOI":"10.1021\/ja00457a005","volume":"99","author":"Dewar","year":"1977","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB12","doi-asserted-by":"crossref","first-page":"7822","DOI":"10.1021\/ja00466a012","volume":"94","author":"Dewar","year":"1977","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB13","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1007\/BF00548085","volume":"46","author":"Dewar","year":"1977","journal-title":"Theor. Chim. Acta"},{"key":"10.1016\/0097-8485(78)80005-9_BIB14","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1093\/comjnl\/6.2.163","volume":"6","author":"Fletcher","year":"1963","journal-title":"Comput. J."},{"key":"10.1016\/0097-8485(78)80005-9_BIB15","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1093\/comjnl\/8.1.33","volume":"8","author":"Fletcher","year":"1965","journal-title":"Comput. J."},{"key":"10.1016\/0097-8485(78)80005-9_BIB16","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1098\/rspa.1951.0048","volume":"205","author":"Hall","year":"1951","journal-title":"Proc. R. Soc. Lond. Ser. A"},{"key":"10.1016\/0097-8485(78)80005-9_BIB17","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1143\/PTPS.40.52","author":"Huzinaga","year":"1967","journal-title":"Suppl. Prog. Theor. Phys."},{"key":"10.1016\/0097-8485(78)80005-9_BIB18","doi-asserted-by":"crossref","first-page":"4550","DOI":"10.1021\/ja01075a008","volume":"86","author":"Klopman","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB19","doi-asserted-by":"crossref","first-page":"3300","DOI":"10.1021\/ja01093a003","volume":"87","author":"Klopman","year":"1965","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB20","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1016\/0009-2614(71)80294-4","volume":"10","author":"McIver","year":"1971","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/0097-8485(78)80005-9_BIB21","doi-asserted-by":"crossref","first-page":"2625","DOI":"10.1021\/ja00763a011","volume":"94","author":"McIver","year":"1972","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/0097-8485(78)80005-9_BIB22","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1093\/comjnl\/13.2.185","volume":"13","author":"Murtagh","year":"1970","journal-title":"Comput. J."},{"key":"10.1016\/0097-8485(78)80005-9_BIB23","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1007\/BF00528281","volume":"2","author":"Ohno","year":"1964","journal-title":"Theor. Chim. Acta."},{"key":"10.1016\/0097-8485(78)80005-9_BIB24","doi-asserted-by":"crossref","first-page":"S129","DOI":"10.1063\/1.1701475","volume":"43","author":"Pople","year":"1965","journal-title":"J. Chem. Phys."},{"key":"10.1016\/0097-8485(78)80005-9_BIB25","author":"Pople","year":"1970"},{"key":"10.1016\/0097-8485(78)80005-9_BIB26","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1103\/RevModPhys.23.69","volume":"23","author":"Roothaan","year":"1951","journal-title":"Rev. Mod. Phys."},{"key":"10.1016\/0097-8485(78)80005-9_BIB27","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1063\/1.1672702","volume":"52","author":"Stewart","year":"1970","journal-title":"J. Chem. Phys."}],"container-title":["Computers & Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:0097848578800059?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:0097848578800059?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,5,4]],"date-time":"2019-05-04T12:25:09Z","timestamp":1556972709000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/0097848578800059"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1978,1]]},"references-count":27,"journal-issue":{"issue":"1","published-print":{"date-parts":[[1978,1]]}},"alternative-id":["0097848578800059"],"URL":"https:\/\/doi.org\/10.1016\/0097-8485(78)80005-9","relation":{},"ISSN":["0097-8485"],"issn-type":[{"value":"0097-8485","type":"print"}],"subject":[],"published":{"date-parts":[[1978,1]]}}}