ISSN:
0018-019X
Keywords:
Chemistry
;
Organic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Multiple-scattering-Xα MO-calculations are reported for Co (acacen). The results are essentially in agreement with extended Hückel calculations and EPR. data. Particular emphasis has been placed on the calculation of the electronic structure and one-electron properties, i.e. state energies diagram, spin-orbit coupling and hyperfine coupling based on a ligand field interpretation of the Xα-results, which allow to rationalize the main features of the EPR. spectra.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hlca.19820650818
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