The DOI matches its Crossref record; 112 of the 112 references it cites were found in a registry or an index.
Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules
Abstract
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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Cites
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, I. R., Merz, K. M., Ferguson, D. M., Spellmeyer, D. C., Fox, T., Caldwell, J. W., & Kollman, P. A. (1995) · Journal of the American Chemical Society · doi:10.1021/ja00124a002 · Cited by 13,103
A fifth-order perturbation comparison of electron correlation theories
Raghavachari, K., Trucks, G. W., Pople, J. A., & Head-Gordon, M. (1989) · Chemical Physics Letters · doi:10.1016/s0009-2614(89)87395-6 · Cited by 8,504
Self-citationAndersson, K., Malmqvist, P.-Å., & Roos, B. O. (1992) · The Journal of Chemical Physics · doi:10.1063/1.462209 · Cited by 3,877
Stewart, J. J. P. (2007) · Journal of Molecular Modeling · doi:10.1007/s00894-007-0233-4 · Cited by 3,619
Gaussian-2 theory for molecular energies of first- and second-row compounds
Curtiss, L. A., Raghavachari, K., Trucks, G. W., & Pople, J. A. (1991) · The Journal of Chemical Physics · doi:10.1063/1.460205 · Cited by 3,440
Self-citationCoupled-cluster theory in quantum chemistry
Bartlett, R. J., & Musiał, M. (2007) · Reviews of Modern Physics · doi:10.1103/revmodphys.79.291 · Cited by 3,343
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
Curtiss, L. A., Raghavachari, K., Redfern, P. C., Rassolov, V., & Pople, J. A. (1998) · The Journal of Chemical Physics · doi:10.1063/1.477422 · Cited by 2,865
Self-citationA complete basis set model chemistry. VI. Use of density functional geometries and frequencies
Montgomery, J. A., Frisch, M. J., Ochterski, J. W., & Petersson, G. A. (1999) · The Journal of Chemical Physics · doi:10.1063/1.477924 · Cited by 2,725
Curtiss, L. A., Redfern, P. C., & Raghavachari, K. (2007) · The Journal of Chemical Physics · doi:10.1063/1.2436888 · Cited by 2,115
Self-citationSimplified CCSD(T)-F12 methods: Theory and benchmarks
Knizia, G., Adler, T. B., & Werner, H.-J. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3054300 · Cited by 1,996
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Biedermann, F., & Schneider, H.-J. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00583 · Cited by 554
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Perspective: Kohn-Sham density functional theory descending a staircase
Yu, H. S., Li, S. L., & Truhlar, D. G. (2016) · The Journal of Chemical Physics · doi:10.1063/1.4963168 · Cited by 317
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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 .”
Background
Metadata
- 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
- OpenAlex
- W2005205193
- Cited by
- 290
- References
- 112
- FWCI
- 1.11
- Type
- journal article
- Language
- en
- Open access
- closed
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