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

Semi-empirical calculations of the magnetic properties of condensed hydrocarbons. Part 2 / Lazzeretti, Paolo; F., Taddei. - In: JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS II. - ISSN 0300-9238. - STAMPA. - 68:(1972), pp. 1825-1832.

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

LAZZERETTI, Paolo;
1972

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
1972
68
1825
1832
Semi-empirical calculations of the magnetic properties of condensed hydrocarbons. Part 2 / Lazzeretti, Paolo; F., Taddei. - In: JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS II. - ISSN 0300-9238. - STAMPA. - 68:(1972), pp. 1825-1832.
Lazzeretti, Paolo; F., Taddei
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/454535
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