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ChemInform Abstract: The Theoretical Determination of Phosphorus NMR Chemical Shielding

โœ Scribed by D. B. Chesnut; L. D. Quin

Publisher
John Wiley and Sons
Year
2010
Weight
25 KB
Volume
31
Category
Article
ISSN
0931-7597

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๐Ÿ“œ SIMILAR VOLUMES

The inclusion of correlation in the calc
The inclusion of correlation in the calculation of phosphorus NMR chemical shieldings
โœ D. B. Chesnut; E. F. C. Byrd ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 543 KB

## The effects of including correlation in the calculation of phosphorus nuclear magnetic resonance (NMR) chemical shielding has been investigated for a variety of molecules in the Hartree-Fock, second-order Mder-Plesset (MP2), and estimated infinite-order Merller-Plesset theory ab initio approaches