Determination of exchange coupling constants in linear polyradicals by means of local spins

This work extends the previously reported studies (Oliva et al. in Theor Chem Acc 132:1329, 2013, Theor Chem Acc 134:9, 2015) on electronic structures of simple polyhedral polyradicals constructed from s = ½ closo-carborane CB11H12 • structural units. Linear polyradical structures obtained from thes...

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Detalles Bibliográficos
Autores principales: Oña, O.B., Alcoba, D.R., Torre, A., Lain, L., Massaccesi, G.E., Oliva-Enrich, J.M.
Formato: JOUR
Materias:
Carboranes
Heisenberg spin Hamiltonian
Spin exchange coupling constants
Spin population
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_1432881X_v136_n3_p_Ona
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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