33S NMR shieldings and chemical bonding
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D. B. Chesnut; L. D. Quin
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Article
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2004
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John Wiley and Sons
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English
β 117 KB
## Abstract Sulfur nuclear magnetic resonance (NMR) chemical shieldings have been determined at the correlationβincluding density functional theory scaled B3LYP/6β311+G(nd,p)//B3LYP/6β311+G(d,p) and modified MP2/6β311+G(nd,p) estimated infinite order MΓΈllerβPlesset levels with __n__ = 2 for sulfur.