Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species

Research Article| January 01, 2001 Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species John D. Tossell John D. Tossell Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, 20742, U.S.A. Search for other works by this author on: GSW Google Scholar Author and Article Information John D. Tossell Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, 20742, U.S.A. Publisher: Mineralogical Society of America First Online: 14 Jul 2017 © The Mineralogical Society Of America Reviews in Mineralogy and Geochemistry (2001) 42 (1): 437–458. https://doi.org/10.2138/rmg.2001.42.12 Article history First Online: 14 Jul 2017 Cite View This Citation Add to Citation Manager Share Icon Share Facebook Twitter LinkedIn MailTo Tools Icon Tools Get Permissions Search Site Citation John D. Tossell; Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species. Reviews in Mineralogy and Geochemistry 2001;; 42 (1): 437–458. doi: https://doi.org/10.2138/rmg.2001.42.12 Download citation file: Ris (Zotero) Refmanager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentBy SocietyReviews in Mineralogy and Geochemistry Search Advanced Search NMR provides one of the most effective ways of identifying and quantifying the species present in a geochemical system (Engelhardt and Michel 1987; Kirkpatrick 1988). NMR shifts and other properties (such as quadrupole coupling constants for nuclei with spin > 1/2) often show simple systematic dependence upon local structural parameters. Features in the NMR spectra of disordered systems, such as glasses and solutions, can often be identified with those seen in well-ordered crystalline materials, a “fingerprint” approach. However, for unusual species no such fingerprinting is possible and it is very desirable to be able to directly calculate... You do not have access to this content, please speak to your institutional administrator if you feel you should have access.