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The analysis is based on the number of iterations, the minimum of the weighted Euclidean matrix norm, and first\u2010order perturbation theory applied to each type of Hessian correction. Finally, we give a derivation of a family of updated Hessians from the variational method proposed by Greenstadt. We conclude that the proposed family of updated Hessians is useful for the optimization of transition structures. \u00a9 1995 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540161103","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:07:15Z","timestamp":1104628035000},"page":"1326-1338","source":"Crossref","is-referenced-by-count":34,"title":["Analysis of the updated Hessian matrices for locating transition structures"],"prefix":"10.1002","volume":"16","author":[{"given":"Josep Maria","family":"Bofill","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M\u00f3anica","family":"Comajuan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00763a011"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3719\/7\/5\/009"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(81)85120-2"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.442352"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030212"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100238a013"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.446996"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100247a015"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540070402"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(91)90115-P"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01113251"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540150102"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/9780470142936.ch4"},{"key":"e_1_2_1_15_2","volume-title":"Practical Methods of Optimization","author":"Fletcher R.","year":"1987"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01584071"},{"key":"e_1_2_1_17_2","unstructured":"M.Dupuis D.Spangler andJ. 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