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Calculation of19F chemical shifts in polysubstituted fluorobenzene derivatives

โœ Scribed by V. K. Mukhomorov


Book ID
112363579
Publisher
Springer
Year
1976
Tongue
English
Weight
184 KB
Volume
10
Category
Article
ISSN
0040-5760

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The (19)F NMR shieldings for 53 kinds of perfluoro compounds were calculated by the B3LYP-GIAO method using the 6-31G(d), 6-31+G(d), 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p), 6-311++G(d,p), 6-311G(2d,2p), 6-311++G(2d,2p), 6-311++G(2df,2p), 6-311++G(3d,2p), and 6-311++G(3df,2p) basis sets. The diffuse f