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Encyclopedia of Magnetic Resonance || Shielding Calculations: Perturbation Methods

✍ Scribed by Harris, Robin K.

Book ID: 120391732
Publisher: John Wiley & Sons, Ltd
Year: 2007
Weight: 382 KB
Category: Article
ISBN-13: 9780470034590
DOI: 10.1002/9780470034590.emrstm0497

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Fluorine and proton magnetic shieldings of HF are calculated with the use of an ab initio finite perturbation molecular orbital theory with four different basis sets of gauge invarkmt atomic orbit&.