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Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

Raghavachari, Krishnan, Saha, Arjun·2015·Chemical Reviews

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ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTAccurate Composite and Fragment-Based Quantum Chemical Models for Large MoleculesKrishnan Raghavachari* and Arjun SahaView Author Information Department of Chemistry, Indiana University, 800 E. Kirkwood Avenue, Bloomington, Indiana 47405, United States*E-mail: [email protected]Cite this: Chem. Rev. 2015, 115, 12, 5643–5677Publication Date (Web):April 7, 2015Publication History Received24 October 2014Published online7 April 2015Published inissue 24 June 2015https://pubs.acs.org/doi/10.1021/cr500606ehttps://doi.org/10.1021/cr500606ereview-articleACS PublicationsCopyright © 2015 American Chemical SocietyRequest reuse permissionsArticle Views3630Altmetric-Citations225LEARN 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:Chemical calculations,Cluster chemistry,Energy,Molecules,Monomers Get e-Alerts

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“In insulators the high-order terms of the MBE decay rapidly with distance, which makes this type of approximation useful for low-scaling, high-accuracy models of liquids, solids and biological molecules 1–11 .”
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Authors: Raghavachari, K., & Saha, A.
Venue: Chemical Reviews
Publisher: American Chemical Society (ACS)
Published: 2015-04-07
Volume: 115
Issue: 12
Pages: 5643-5677
ISSN: 0009-2665 (ISSN-L)
1520-6890
DOI: 10.1021/cr500606e
OpenAlex: W2005205193
Cited by: 290
References: 112
FWCI: 1.11
Type: journal article
Language: en
Open access: closed

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Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

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