ISSN print edition: 0366-6352
ISSN electronic edition: 1336-9075
Registr. No.: MK SR 9/7

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Problem of Electron Correlation in View of ESR Spectroscopy

J. Tiňo

Institute of Polymers у Slovak Academy of Sciences, Bratislava 9

 

Abstract: In the present work quantum-chemical methods for open shells in view of the description of electron correlation are studied. Spin densities are calculated on a chosen radical system and the degree of inclusion of electron correlation in individual methods with respect to the results of electron spin resonance is considered.

Full paper in Portable Document Format: 252a81.pdf

 

Chemical Papers 25 (2) 81–91 (1971)

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