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Conceptual Density Functional Theory

Chemical Reviews · 2003 · Vol. 103(5) · pp. 1793–1874
Paul GeerlingsFrank De ProftWilfried Langenaeker

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTConceptual Density Functional TheoryP. Geerlings, F. De Proft, and W. LangenaekerView Author Information Eenheid Algemene Chemie, Faculteit Wetenschappen, Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium, and Department of Molecular Design and Chemoinformatics, Janssen Pharmaceutica NV, Turnhoutseweg 30, B-2340 Beerse, Belgium Cite this: Chem. Rev. 2003, 103, 5, 1793–1874Publication Date (Web):April 17, 2003Publication History Received2 April 2002Published online17 April 2003Published inissue 1 May 2003https://pubs.acs.org/doi/10.1021/cr990029phttps://doi.org/10.1021/cr990029presearch-articleACS PublicationsCopyright © 2003 American Chemical SocietyRequest reuse permissionsArticle Views24755Altmetric-Citations4026LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Chemical bonding,Electronic properties,Hardness,Molecules,Reactivity Get e-Alerts

Chemical Reaction MechanismsCrystallography and molecular interactionsInorganic and Organometallic ChemistryCitationComputer scienceLibrary scienceCheminformaticsSocial mediaWorld Wide WebInformation retrievalChemistryComputational chemistry
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References
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A Correlation of Reaction Rates
Journal of the American Chemical Society · 1955 · 3,528 citations
Definition of aromaticity basing on the harmonic oscillator model
Tetrahedron Letters · 1972 · 1,344 citations
Charge, bond order and valence in the AB initio SCF theory
Chemical Physics Letters · 1983 · 2,197 citations
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Conceptual Density Functional Theory · Scinovex