Counter-Rotating Ring Currents in Coronene and Corannulene
β Scribed by Erich Steiner; Patrick W. Fowler; Leonardus W. Jenneskens
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 213 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0044-8249
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π SIMILAR VOLUMES
We have studied magnetism and aromaticity of polycyclic ring systems by analyzing ring currents for different circulations in these molecules. The technique employed for calculating ring currents uses correction vectors which implicitly includes all the eigenstates of the Hamiltonian in the space of
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
## Abstract To isolate atropine and scopolamine from __Daturae metelis Flos__, three different elution modes have been applied in pHβzoneβrefining counterβcurrent chromatography. These separations were performed with a twoβphase solvent system composed of ethyl acetate/__n__βbutanol/water (4:1:5βv/