Hydrogen Bonds: First Quantitative Agreement between Electrostatic Potential Calculations from Experimental X−(X + N) and Theoretical ab Initio SCF Models

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTHydrogen Bonds: First Quantitative Agreement between Electrostatic Potential Calculations from Experimental X−(X + N) and Theoretical ab Initio SCF ModelsE. Espinosa, C. Lecomte, N. E. Ghermani, J. Devémy, M. M. Rohmer, M. Bénard, and E. MolinsView Author Information Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, LCM3B, URA CNRS 809 Faculté des Sciences, BP 239 Université Henri Poincaré-Nancy 1 54506 Vandoeuvre-lès-Nancy Cédex, France Instituto de Ciencia de Materiales de Barcelona (CSIC), Campus de la UAB 08193 Bellaterra, Barcelona, Spain Laboratoire de Chimie Quantique, UPR 139 CNRS Université Louis Pasteur, 4 Rue B. Pascal F-67000 Strasbourg, FranceCite this: J. Am. Chem. Soc. 1996, 118, 10, 2501–2502Publication Date (Web):March 13, 1996Publication History Received18 September 1995Revised18 January 1996Published online13 March 1996Published inissue 1 January 1996https://doi.org/10.1021/ja953193cCopyright © 1996 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views169Altmetric-Citations31LEARN 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 (143 KB) Get e-AlertsSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Deformation,Electron density,Electrostatic potential,Peptides and proteins,Theoretical models Get e-Alerts