Journal of the American Chemical Society · 1996 · 55 citations · 11 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsComputational Quantum ChemistryDensity Functional TheoryMolecular Orbital TheoryMolecular SymmetryPerturbation TheoryAromatic Electronic EffectsAromaticity EffectsAromaticity In Main-group CompoundsBonding In Aromatic SystemsDensity Functional Perturbation TheoryMolecular Perturbation TheoryPerturbation Density Functional TheorySecond-order Perturbation Theory
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTExploring the Boundary between Aromatic and Olefinic Character: Bad News for Second-Order Perturbation Theory and Density Functional SchemesHorst M. Sulzbach, Henry F. Schaefer, Wim Klopper, and Hans Peter LüthiView Author Information Center for Computational Quantum Chemistry University of Georgia, Athens, Georgia 30602 Swiss Center for Scientific Computing Eidgenössische Technische Hochschule CH-8092 Zürich, SwitzerlandCite this: J. Am. Chem. Soc. 1996, 118, 14, 3519–3520Publication Date (Web):April 10, 1996Publication History Received15 November 1995Revised20 February 1996Published online10 April 1996Published inissue 1 January 1996https://doi.org/10.1021/ja9538400Copyright © 1996 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views165Altmetric-Citations49LEARN 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 InReddit Read OnlinePDF (61 KB) Get e-AlertsSUBJECTS:Aromatic compounds,Basis sets,Chemical structure,Energy,Potential energy Get e-Alerts
11
A new mixing of Hartree–Fock and local density-functional theories
Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations
Natural Sciences, Chemistry, Physics +11
An efficient ab initio gradient program
P�ter Pulay · Theoretical Chemistry Accounts · 1979 · 451 citations
Josep María Bofill, Péter Pulay · The Journal of Chemical Physics · 1989 · 231 citations