A theoretical investigation of the properties of free radicals
(1983) XIII Congress of Theoretical Chemists of Latin Expression — Location: Alghero, Sardinia, France (5.October.1982)
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- Abstract
- Results of unrestricted Hartree-Fock calculations (at various basis set levels) are used for rationalizing static and dynamic properties of free radicals. A detailed classification of these species, based on their electronic structure and their stabilization energy, is presented. The latter concept is shown to be a good tool for analyzing the self-reactivity of free radicals.
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Citations
Leroy, G. (1983). A theoretical investigation of the properties of free radicals. Journal of Molecular Structure: THEOCHEM, Vol. 10, p. 175-188.