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Central limit theorem for asymmetric kernel functionals
(Escola de Pós-Graduação em Economia da FGV, 2004-02-01)
Asymmetric kernels are quite useful for the estimation of density functions with bounded support. Gamma kernels are designed to handle density functions whose supports are bounded from one end only, whereas beta kernels ...
Generalized nuclear fukui functions in the framework of spin-polarized density-functional theory
(AMERICAN INSTITUTE OF PHYSICS, 2005)
Condensed-to-atoms electronic fukui functions within the framework of spin-polarized density-functional theory
(AMERICAN INSTITUTE OF PHYSICS, 2005)
Condensed-to-atoms electronic fukui functions within the framework of spin-polarized density-functional theory
(AMERICAN INSTITUTE OF PHYSICS, 2005)
Light-harvesting efficiency of a (6,5) carbon nanotube functionalized with a free-base tetraphenylporphyrin: density functional theory calculations
(AMERICAN INSTITUTE OF PHYSICS, 2013)
A density functional study of small NixSn clusters with x = 1-4
(Elsevier Science, 2001-01)
Results of a systematic study of the geometry, electronic structure, magnetic, and vibrational properties of small NixSn clusters, with x = 1-4, within the framework of the density functional theory are presented in this ...
Theory of non-local (pair site) reactivity from model static-density response functions
(Springer New York, 1998)
Activation is a fundamental and well-known concept in chemistry. It may be qualitatively defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a ...