{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T23:18:10Z","timestamp":1770333490823,"version":"3.49.0"},"reference-count":26,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3506,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,2]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>A procedure to represent Hartree\u2010Fock electron densities in atoms [L. Fernandez Pacios,<jats:italic>J. Comp. Chem.<\/jats:italic>,<jats:bold>14<\/jats:bold>, 410 (1993)] defines \u03c1(<jats:italic>r<\/jats:italic>) as a reduced expansion of exponential functions. These analytically modeled densities (AMDs) are used in this article to develop a simple computational procedure for analyzing different atomic radii scales implemented in the commercial software system MATHEMATICA. The analysis is focused on the physical information associated to a given atomic radius as deduced from calculations depending on \u03c1(<jats:italic>r<\/jats:italic>). The amount of electron charge contained in the sphere of the given radius as well as the distinct contributions to the potential energy integrated up to that radius are obtained within the AMD formulation for main\u2010group atoms H\u2014Kr. The ASCII file needed to run the procedure within MATHEMATICA is also presented. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160202","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:08:12Z","timestamp":1104628092000},"page":"133-145","source":"Crossref","is-referenced-by-count":16,"title":["Atomic radii scales and electron properties deduced from the charge density"],"prefix":"10.1002","volume":"16","author":[{"given":"L. Fern\u00e1ndez","family":"Pacios","sequence":"first","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","volume-title":"Shape in Chemistry. An Introduction to Molecular Shape and Topology","author":"Mezey P. G.","year":"1993"},{"key":"e_1_2_1_2_3","volume-title":"Concepts and Applications of Molecular Similarity","author":"Johnson M. 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