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Computational Prediction of1H and13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTComputational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic ChemistryMichael W. Lodewyk†, Matthew R. Siebert‡, and Dean J. Tantillo*†View Author Information† Department of Chemistry, University of California—Davis, Davis, California 95616, United States‡ Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States*E-mail: [email protected]Cite this: Chem. Rev. 2012, 112, 3, 1839–1862Publication Date (Web):November 17, 2011Publication History Received7 April 2011Published online17 November 2011Published inissue 14 March 2012https://pubs.acs.org/doi/10.1021/cr200106vhttps://doi.org/10.1021/cr200106vreview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views14348Altmetric-Citations997LEARN 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-AlertscloseSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Chemical calculations,Chemical structure,Molecular structure,Molecules,Solvents Get e-Alerts
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Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847
Steiner, E., & Fowler, P. W. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp011955m · Cited by 459
Four- and two-electron rules for diatropic and paratropic ring currents in monocyclic π systems
Steiner, E., & Fowler, P. W. (2001) · Chemical Communications · doi:10.1039/b104847n · Cited by 292
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Willoughby, P. H., Jansma, M. J., & Hoye, T. R. (2014) · Nature Protocols · doi:10.1038/nprot.2014.042 · Cited by 404
Ashbrook, S. E., & McKay, D. (2016) · Chemical Communications · doi:10.1039/c6cc02542k · Cited by 283
Finding Our Way in the Dark Proteome
Bhowmick, A., Brookes, D. H., Yost, S. R., Dyson, H. J., Forman-Kay, J. D., Gunter, D., Head-Gordon, M., Hura, G. L., Pande, V. S., Wemmer, D. E., et al. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b06543 · Cited by 128
Revision of the Structure of Acremine P from a Marine-Derived Strain of Acremonium persicinum
Garson, M., Hehre, W., Pierens, G., & Suciati (2017) · Molecules · doi:10.3390/molecules22040521 · Cited by 15
Metadata
- Authors
- Lodewyk, M. W., Siebert, M. R., & Tantillo, D. J.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-11-17
- Volume
- 112
- Issue
- 3
- Pages
- 1839-1862
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2053701172
- Cited by
- 1,287
- References
- 3
- FWCI
- 1.62
- Type
- journal article
- Language
- en
- Open access
- closed
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- Lodewyk, M. W., Siebert, M. R., & Tantillo, D. J. (2012). Computational Prediction of1H and13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry. Chemical Reviews. https://doi.org/10.1021/cr200106v
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