ISSN:
1572-9540
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract As a test of the accuracy of the Hartree-Fock Cluster procedure which is being increasingly used for the study of electronic structures and hyperfine properties of solid state systems, we have applied it to study the14N quadrupole coupling constants of the free molecules pyrrole, indole and carbazole, which have been measured by microwave spectroscopic techniques. Our results explain the experimental trends over the three molecules and provide very good quantitative agreement with experiment.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02407600
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