Issue 0, 1972

Semi-empirical calculations of the magnetic properties of condensed hydrocarbons. Part 2

Abstract

Coupled Hartree-Fock perturbation theory is used to evaluate the contributions of ring currents to magnetic properties of condensed hydrocarbons. It is shown that this method applies to large molecules as well, and agreement between theory and experiment is quite satisfactory. The problem of gauge invariance is also discussed.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1972,68, 1825-1832

Semi-empirical calculations of the magnetic properties of condensed hydrocarbons. Part 2

P. Lazzeretti and F. Taddei, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 1825 DOI: 10.1039/F29726801825

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