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Aromatic proton chemical shifts without ring currents

โœ Scribed by Peter H. Blustin

Book ID
107731960
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
347 KB
Volume
64
Category
Article
ISSN
0009-2614

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## Abstract Fortyโ€five proton chemical shifts in 14 aromatic molecules have been calculated at several levels of theory: Hartreeโ€“Fock and density functional theory with several different basis sets, and also secondโ€order Mรธllerโ€“Plesset (MP2) theory. To obtain consistent experimental data, the NMR s