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Aromaticity and Ring Currents

✍ Scribed by Gomes, J. A. N. F.; Mallion, R. B.


Book ID
117996304
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
477 KB
Volume
101
Category
Article
ISSN
0009-2665

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✦ Subjects


Chemical Reviews


πŸ“œ SIMILAR VOLUMES


Ring currents in aromatic hydrocarbons
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Coupled Hartree-Fock theory is used to compute and map the current density induced in planar hydrocarbons by an external magnetic field. Results of useful accuracy can be obtained with modest (6-31G\*\*) basis sets by employing a continuous gauge transformation. Maps are presented and discussed for