Molecules in molecules calculations on decacyclene |
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| Authors: | C. J. M. Brugman N. P. Van Asselt R. P. H. Rettschnick G. J. Hoytink |
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| Affiliation: | (1) Department of Applied Mathematics, University College, Bangor, North Wales, Britain |
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| Abstract: | The calculation of the ring-current contribution to the proton chemical shifts in conjugated systems using uncoupled Hartree-Fock perturbation theory is improved by the inclusion of origin variation in the expression for the vector potential. |
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