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Mostrando ítems 1-10 de 13
Optimal Hartree-Fock Exact Exchange fraction to describe small organic oligomers.
(Sociedade Brasileira de Pesquisas em Materiais.Campos do Jordão, 2013-09-29)
Electronic conduction by conjugated polymers has attracted attention because their physical and chemical properties are important in the development of new devices. To characterize long polymers chains, it is important to ...
On the existence of ordered phases of encapsulated diamondoids into carbon nanotubes
(2012-12-05)
We have investigated some diamondoids encapsulation into single walled carbon nanotubes (with diameters ranging from1.0 up to 2.2 nm) using fully atomistic molecular dynamics simulations. Diamondoids are the smallest ...
An ultrafiltration membrane, prepared with MSU-type mesoporous silica: Preparation and specific filtration behavior
(2005-07-11)
We report preparation and the singular filtration properties of an ultrafiltration membrane made with MSU-type mesoporous silica that exhibits cylindrical pores aligned mostly normal to the support. This membrane supported ...