Ab initio calculations of the transition-state geometry and vibrational frequencies of the SN2 reaction of chloride with chloromethane

Susan C. Tucker; Donald G Truhlar

doi:10.1021/j100362a004

Abstract

1 min read

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio calculations of the transition-state geometry and vibrational frequencies of the SN2 reaction of chloride with chloromethaneSusan C. Tucker and Donald G. TruhlarCite this: J. Phys. Chem. 1989, 93, 25, 8138–8142Publication Date (Print):December 1, 1989Publication History Published online1 May 2002Published inissue 1 December 1989https://pubs.acs.org/doi/10.1021/j100362a004https://doi.org/10.1021/j100362a004research-articleACS PublicationsRequest reuse permissionsArticle Views340Altmetric-Citations68LEARN 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 options Get e-Alerts

Ab initio calculations of the transition-state geometry and vibrational frequencies of the SN2 reaction of chloride with chloromethane

Abstract

Discussion(0)

Related publications

Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane

Ab initio reaction paths and direct dynamics calculations

Additions and Corrections - Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio Calculations

Ab initio molecular orbital calculations of the protonation of propylene and isobutene by acidic hydroxyl groups of isomorphously substituted zeolites

Ab initio study of the displacement reactions of chloride ion with formyl and acetyl chloride

Related publications

Article1987
Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane
Article1987

Article1989
Ab initio reaction paths and direct dynamics calculations
Article1989

Article1980
Additions and Corrections - Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio Calculations
Article1980

Article1993
Ab initio molecular orbital calculations of the protonation of propylene and isobutene by acidic hydroxyl groups of isomorphously substituted zeolites
Article1993

Article1987
Ab initio study of the displacement reactions of chloride ion with formyl and acetyl chloride
Article1987