13C NMR Chemical Shift Calculation Applied to Differentiation of Regioisomers Triterpenes
نویسندگان
چکیده
منابع مشابه
Calculation of 13C chemical shifts in rna nucleosides: structure-13C chemical shift relationships.
Isotropic 13C chemical shifts of the ribose sugar in model RNA nucleosides are calculated using SCF and DFT-GIAO ab initio methods for different combinations of ribose sugar pucker, exocyclic torsion angle, and glycosidic torsion angle. Idealized conformations were obtained using structures that were fully optimized by ab initio DFT methods starting with averaged parameters from a collection of...
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~Protein Engineering Network of Centres of Excellence, Department of Biochemistry, University of Alberta, Edmonton, AB, Canada T6G 2S2 bDepartment of Molecular Biology, The Scripps Research Institute, 10666 North Torrey Pines Road, La Jolla, CA 92037, US.A. "National Magnetic Resonance Facility at Madison, Department of Biochemistry, University of Wisconsin at Madison, 420 Henry Mall, Madison, ...
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ژورنال
عنوان ژورنال: Revista Virtual de Química
سال: 2020
ISSN: 1984-6835
DOI: 10.21577/1984-6835.20200078