{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T11:47:27Z","timestamp":1749124047597},"reference-count":52,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3325,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,8]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The parameters for an empirical point charge calculation method, Mulliken Population Constrained Potential Derived\u2013Modified Partial Equalization of Orbital Electronegativity (MPCPD\u2013MPEOE) method, for hypervalent sulfur, phosphorus, and the atoms bonded to these atoms, were determined. A new empirical method, MPCPD, which has inherent advantages over both the Mulliken population and potential derived methods, is proposed here. The MPCPD net atomic charges are transferable and reproduce the electrostatic potential. The electrical properties were calculated with the MPCPD and MPCPD\u2013MPEOE charges. These properties agreed well with experimental results and with 6\u201031G** <jats:italic>ab initio<\/jats:italic> results. The MPEOE parameters for the sulfur atom in aromatic molecules and trivalent phosphorus in phosphite molecules were also determined. The dipole moments calculated with the MPCPD\u2013MPEOE point charges agreed well with experimental results. All the parameters obtained in this work are consistent with those obtained in our previous work. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160808","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T08:40:29Z","timestamp":1104655229000},"page":"1011-1026","source":"Crossref","is-referenced-by-count":18,"title":["Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. IV. 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