The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forcesGeza Fogarasi, Xuefeng Zhou, Patterson W. Taylor, and Peter PulayCite this: J. Am. Chem. Soc. 1992, 114, 21, 8191–8201Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Published inissue 1 October 1992https://doi.org/10.1021/ja00047a032RIGHTS & PERMISSIONSArticle Views2114Altmetric-Citations841LEARN 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 PDF (1 MB) Get e-Alerts Get e-Alerts