Browsing by Author "Geerlings, P."
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Chamorro, Eduardo; López, Patricia; De Proft, Frank; Geerlings, P. (AMER INST PHYSICS, 2006-01-28)The electrophilicity index is analyzed within the framework of spin-polarized density-functional theory. In this context, constrained philicities, omega(N)equivalent to(mu(N))(2)/(2 eta(NN)), are introduced in order to ...