Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria

ADVERTISEMENT RETURN TO ISSUEPerspectiveNEXTPerspective on Free-Energy Perturbation Calculations for Chemical EquilibriaWilliam L. Jorgensen* and Laura L. ThomasView Author Information Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107* Corresponding author e-mail: [email protected]Cite this: J. Chem. Theory Comput. 2008, 4, 6, 869–876Publication Date (Web):May 9, 2008Publication History Received8 January 2008Published online9 May 2008Published inissue 1 June 2008https://pubs.acs.org/doi/10.1021/ct800011mhttps://doi.org/10.1021/ct800011mreview-articleACS PublicationsCopyright © 2008 American Chemical SocietyRequest reuse permissionsArticle Views3672Altmetric-Citations270LEARN 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:Aromatic compounds,Chemical calculations,Computer simulations,Electron correlation,Free energy Get e-Alerts