Multiconfigurational Perturbation Theory:  An Efficient...

Journal of Physical Chemistry A 2001 / 12 Vol. 105; Iss. 50

Multiconfigurational Perturbation Theory:  An Efficient Tool to Predict Magnetic Coupling Parameters in Biradicals, Molecular Complexes, and Ionic Insulators

de Graaf, Coen, Sousa, Carmen, de P. R. Moreira, Ibério, Illas, Francesc
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Volume:
105
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp013554c
Date:
December, 2001
File:
PDF, 125 KB
english, 2001
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