{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,22]],"date-time":"2026-08-22T21:27:06Z","timestamp":1787434026075,"version":"build-2736575974"},"reference-count":32,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":6421,"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":[[1998,2]]},"DOI":"10.1002\/(sici)1096-987x(199802)19:3<349::aid-jcc8>3.0.co;2-t","type":"journal-article","created":{"date-parts":[[2004,11,13]],"date-time":"2004-11-13T10:27:24Z","timestamp":1100341644000},"page":"349-362","source":"Crossref","is-referenced-by-count":24,"title":["How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points"],"prefix":"10.1002","volume":"19","author":[{"given":"Josep Maria","family":"Anglada","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Josep Maria","family":"Bofill","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB1","volume-title":"Practical Methods of Optimization","author":"Fletcher","year":"1987","unstructured":"Practical Methods of Optimization, Wiley, New York, 1987."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB2","author":"Davidon","year":"1959","unstructured":"Variable Metric Method for Minimization, AEC Research and Development Report, Argonne National Laboratory Report, ANL-5990, 1959."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB3","first-page":"149","volume":"6","author":"Fletcher","year":"1963","journal-title":"Comput. J."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB4","first-page":"222","volume":"6","author":"Broyden","year":"1970","journal-title":"J. Inst. Math. Comput."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB5","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1093\/comjnl\/13.3.317","volume":"13","author":"Fletcher","year":"1970","journal-title":"Comput. J."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB6","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1090\/S0025-5718-1970-0258249-6","volume":"24","author":"Goldfarb","year":"1970","journal-title":"Math. Comput."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB7","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1090\/S0025-5718-1970-0274029-X","volume":"24","author":"Shanno","year":"1970","journal-title":"Math. Comput."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB8","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1007\/BF00927440","volume":"5","author":"Huang","year":"1970","journal-title":"J. Opt. Theor. Applic."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB9","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4612-6048-6","volume-title":"Conjugate Directions Methods in Optimization","author":"Hestenes","year":"1980","unstructured":"Conjugate Directions Methods in Optimization, Springer-Verlag, New York, 1980."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB10","first-page":"1","volume":"24","author":"Greenstadt","year":"1970","journal-title":"Math. Comput."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB11","doi-asserted-by":"crossref","first-page":"1326","DOI":"10.1002\/jcc.540161103","volume":"16","author":"Bofill","year":"1995","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB12","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1007\/BF01584071","volume":"1","author":"Powell","year":"1971","journal-title":"Math. Prog."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB13","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/jcc.540150102","volume":"15","author":"Bofill","year":"1994","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB14","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1016\/0009-2614(96)00876-7","volume":"260","author":"Bofill","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB15","doi-asserted-by":"crossref","first-page":"2745","DOI":"10.1021\/j100238a013","volume":"87","author":"Simons","year":"1983","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB16","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-349-17741-7","volume-title":"Introduction to Non-Linear Optimization","author":"Scales","year":"1985","unstructured":"Introduction to Non-Linear Optimization, Macmillan, Basingstoke, U.K., 1985."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB17","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1002\/(SICI)1097-461X(1997)62:2<153::AID-QUA3>3.0.CO;2-V","volume":"62","author":"Anglada","year":"1997","journal-title":"Int. J. Quantum Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB18.1","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1016\/0009-2614(91)90115-P","volume":"182","author":"Helgaker","year":"1991","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB18.2","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1007\/BF01113251","volume":"82","author":"Culot","year":"1992","journal-title":"Theor. Chim. Acta"},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB19","doi-asserted-by":"crossref","first-page":"6706","DOI":"10.1063\/1.469144","volume":"102","author":"Jensen","year":"1995","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB20","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1021\/j100247a015","volume":"89","author":"Banderjee","year":"1985","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB21","volume-title":"Modern Electronic Structure Theory","author":"Schlegel","year":"1995","unstructured":"In Modern Electronic Structure Theory, Ed., World Scientific Publishing, Singapore, 1995."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB22","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1093\/comjnl\/13.2.185","volume":"13","author":"Murtagh","year":"1972","journal-title":"Comput. J."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB23","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1007\/BF01113240","volume":"83","author":"Schlegel","year":"1992","journal-title":"Theor. Chim. Acta"},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB24","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1057\/jors.1985.68","volume":"36","author":"Al-Baali","year":"1985","journal-title":"J. Oper. Res. Soc."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB25","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1137\/1021091","volume":"21","author":"Dennis","year":"1979","journal-title":"SIAM Rev."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB26","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(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB27","doi-asserted-by":"crossref","first-page":"1347","DOI":"10.1002\/jcc.540141112","volume":"14","author":"Schmidt","year":"1993","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB28","unstructured":"MOPAC Program, local version."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB29","doi-asserted-by":"crossref","first-page":"939","DOI":"10.1002\/jcc.540100712","volume":"10","author":"Cummins","year":"1989","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB30","volume-title":"Physical Organic Chemistry","author":"Isaacs","year":"1987","unstructured":"Physical Organic Chemistry, Longman Scientific, New York, 1987."},{"key":"10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T-BIB31","doi-asserted-by":"crossref","first-page":"2800","DOI":"10.1063\/1.442352","volume":"75","author":"Cerjan","year":"1981","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(199802)19:3%3C349::AID-JCC8%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(199802)19:3%3C349::AID-JCC8%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T10:01:50Z","timestamp":1625133710000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1998,2]]},"references-count":32,"journal-issue":{"issue":"3","published-print":{"date-parts":[[1998,2]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199802)19:3<349::aid-jcc8>3.0.co;2-t","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1998,2]]}}}