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Forty\u2010six MEP minima, 81 electrostatic charges, and 17 electrostatic dipoles were determined at the PM3 level and compared with those obtained from the <jats:italic>ab initio<\/jats:italic> 6\u201031G* wave function, as well as from the semiempirical MNDO and AM1 wave functions. The statistical results of the comparison analysis between semiempirical and <jats:italic>ab initio<\/jats:italic> 6\u201031G* MEPs show that PM3 is in general reliable for the study of the MEP minima but a mediocre method as a source of electrostatic charges. \u00a9 1993 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540140706","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T08:40:47Z","timestamp":1104655247000},"page":"799-808","source":"Crossref","is-referenced-by-count":62,"title":["Suitability of the PM3\u2010derived molecular electrostatic potentials"],"prefix":"10.1002","volume":"14","author":[{"given":"Carlos","family":"Alem\u00e1n","sequence":"first","affiliation":[]},{"given":"F.J.","family":"Luque","sequence":"additional","affiliation":[]},{"given":"M.","family":"Orozco","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1007\/3-540-06399-4_6"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00838a001"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00427a048"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00447a008"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00457a002"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF00549263"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0065-3276(08)60236-1"},{"key":"e_1_2_1_9_2","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1007\/BF03155565","volume":"51","author":"N\u00e1ray\u2010Szab\u00f3 G.","year":"1981","journal-title":"Acta Phys. 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