Article ID Journal Published Year Pages File Type
7753346 Journal of Fluorine Chemistry 2013 10 Pages PDF
Abstract
Optimised model geometries at MP2/6-31G* were in very good agreement with available X-ray crystallographic data and were used to compute 19F and 13C GIAO-NMR shifts.
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Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
Preview
19F and 13C GIAO-NMR chemical shifts for the identification of perfluoro-quinoline and -isoquinoline derivatives
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