Investigation of pure inductive effects on benzene ring by 13C NMR chemical shifts: A theoretical study using fictitious nuclear charges of hydrogen atoms (‘H∗ method’)
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. The inductive effect: theory and quantitative assessment
2. The nature of electrical effect transmission
3. Electrostatic Calculation of the Substituent Effect: An Efficient Test on Isolated Molecules
4. Field and resonance components of substituent effects
5. The Derivation of Inductive Substituent Constants from pKa Values of 4-Substituted Quinuclidines. Polar effects. Part I
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