A general quantum-mech. protocol recently introduced for the theor. study of nonrigid radicals has been used in the investigation of the structure, inversion rate, and EPR spectrum of the cyclopropyl radical. The results are in close agreement with expt. and can be interpreted in terms of the interplay between the variation of the potential energy and the different properties along the inversion coordinate.
Theoretical investigation of the EPR spectrum of the cyclopropyl radical.
MINICHINO, Camilla;
1993-01-01
Abstract
A general quantum-mech. protocol recently introduced for the theor. study of nonrigid radicals has been used in the investigation of the structure, inversion rate, and EPR spectrum of the cyclopropyl radical. The results are in close agreement with expt. and can be interpreted in terms of the interplay between the variation of the potential energy and the different properties along the inversion coordinate.File in questo prodotto:
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