SCHEDULED MAINTENANCE
A novel simple computational scheme based on partial atomic charges and involving an orientational dependence of electronegative substituents plus a steric contribution gives calculated proton chemical shifts for a variety of hydrocarbons in excellent agreement with the observed values.
R. J. Abraham, M. Edgar, L. Griffiths and R. L. Powell, J. Chem. Soc., Chem. Commun., 1993, 1544 DOI: 10.1039/C39930001544
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