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
β¦ LIBER β¦
Evidence for Ring Currents in Aromatic Hydrocarbons
β Scribed by Gaidis, James M.
- Book ID
- 121011910
- Publisher
- American Institute of Physics
- Year
- 1967
- Tongue
- English
- Weight
- 505 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0021-9606
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