CNDO/2 Molecular orbital calculations and the existence of an electric field effect upon proton chemical shifts

1 January 1971

journal article
research article
Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society D: Chemical Communications

No. 19,p. 1218-1220
https://doi.org/10.1039/c29710001218

Abstract

A comparison of vinyl proton chemical shifts for 4-substituted styrenes and 1-vinylbicyclo[2,2,2]octanes obtained from CNDO/2 calculations and from the Buckingham equation demonstrates the existence of an electric dipolar field effect.

Keywords

CNDO/2
PROTON CHEMICAL
CHEMICAL SHIFTS
EXISTENCE OF AN ELECTRIC
OCTANES
DIPOLAR
SUBSTITUTED

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