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For this purpose, MEP minima, electrostatic charges, and dipoles for a large number of molecules were computed at the AM1, MNDO, and PM3 levels using both the NDDO strategy developed by Ferenczy, Reynolds, and Richards and our own <jats:italic>quasi\u2010ab initio<\/jats:italic> method. Results demonstrate that the quasi\u2010<jats:italic>ab initio<\/jats:italic> is preferred over the NDDO method for the computation of MEP minima. It is also found that the best set of semiempirical charges and dipoles are obtained using either the AM1 NDDO or the MNDO quasi\u2010<jats:italic>ab initio<\/jats:italic> methods. In these two cases, the quality of the results is fully comparable with 6\u201031G* values. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150103","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:56:30Z","timestamp":1104627390000},"page":"12-22","source":"Crossref","is-referenced-by-count":44,"title":["Comparison of NDDO and quasi\u2010<i>ab initio<\/i> approaches to compute semiempirical molecular electrostatic potentials"],"prefix":"10.1002","volume":"15","author":[{"given":"C.","family":"Alhambra","sequence":"first","affiliation":[]},{"given":"F. 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