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The requirement of only one matrix diagonalization per energy evaluation makes the EHNDO (Extended H\u00fcckel Neglect of Differential Overlap) method faster than semiempirical Hartree\u2013Fock NDDO methods such as MNDO, AM1, and PM3. Geometrical results for EHNDO appear to be as good as or better than results for the widely used AM1 technique, and geometry optimization for EHNDO also requires only a fraction of the time. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150706","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:05:38Z","timestamp":1104627938000},"page":"733-746","source":"Crossref","is-referenced-by-count":18,"title":["Fast geometry optimization using a modified extended H\u00fcckel method: Results for molecules containing H, C, N, O, and F"],"prefix":"10.1002","volume":"15","author":[{"given":"Steven L.","family":"Dixon","sequence":"first","affiliation":[]},{"given":"Peter C.","family":"Jurs","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","volume-title":"Molecular Mechanics","author":"Buckert U.","year":"1982"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540020311"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540040211"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00267a063"},{"key":"e_1_2_1_6_2","volume-title":"HONDO 7.0","author":"Dupuis M.","year":"1987"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00457a004"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00299a024"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100208"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030214"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1734456"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1681176"},{"key":"e_1_2_1_13_2","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1515\/zpch-1984-26544","volume":"265","author":"Mukhopadhyay A. 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