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Calculation of Chemical Shifts. III. Trivalent Phosphorus 1

โœ Scribed by Gutowsky, H. S.; Larmann, John


Book ID
127312368
Publisher
American Chemical Society
Year
1965
Tongue
English
Weight
633 KB
Volume
87
Category
Article
ISSN
0002-7863

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Calculation of NMR chemical shifts. III.
โœ H. Fukui ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 226 KB

## Abstract The theory for nuclear shielding including electron correlation effect is derived and applied to the hydrogen fluoride molecule. It is shown that about 20% of the paramagnetic contribution to nuclear shielding at nucleus F is due to electron correlation. Inclusion of electron correlatio