Issue 19, 1971

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

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.

Article information

Article type
Paper

J. Chem. Soc. D, 1971, 1218-1220

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

G. K. Hamer and W. F. Reynolds, J. Chem. Soc. D, 1971, 1218 DOI: 10.1039/C29710001218

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