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In pursuit of negative Fukui functions: Molecules with very small band gaps
(Springer Verlag, 2014)
A justification for the likely presence of negative Fukui functions in molecules with small band gaps is given, and a computational study performed to check whether molecules with small band gaps have negative Fukui functions ...
Electronic band-edge properties of rock
(2008)
The electronic band-edges of lead chalcogenides PbY and tin chalcogenides SnY (where Y = S, Se, and Te) are investigated by the means of a full-potential linearized augmented plane wave (FPLAPW) method and the local density ...
Theoretical modelling of low band-gap organic oligomers
(Elsevier Science BvAmsterdamHolanda, 2006)
Nitrogen incorporation during PVD deposition of TiO2:N thin films
(Elsevier Science Sa, 2017-01)
TiO2:N is known for its photoactivity upon illumination with visible light. Using filtered arc with energetic particle fluxes, deposition near room temperature on sensitive substrates, e.g. polymers should be possible. ...
Electronic Structure and Optical Properties of an Alternated Fluorene-Benzothiadiazole Copolymer: Interplay between Experimental and Theoretical Data
(Amer Chemical SocWashingtonEUA, 2012)
Inteligência computacional aplicada na otimização de efeitos causados pelo uso de estruturas PBG em antenas de microfita
(BrasilUFRNPROGRAMA DE PÓS-GRADUAÇÃO EM ENGENHARIA ELÉTRICA E DE COMPUTAÇÃO, 2016-12-02)
The increasing demand for wireless technology in contemporary society requires the construction of integrated microwave circuits each time more sophisticated. In this sense, the planar microstrip antenna stands out because ...
Superlight small bipolarons from realistic long-range Coulomb and Frohlich interactions
(Amer Physical SocCollege PkEUA, 2012)
Computational characterization of the wave propagation behavior of multi-stable periodic cellular materials
(Elsevier LimitedUniversidad EAFIT. Departamento de Ingeniería Mecánica, 2019-01-01)
In this work, we present a computational analysis of the planar wave propagation behavior of a one-dimensional periodic multi-stable cellular material. Wave propagation in these materials is interesting because they combine ...
Reactive sputter magnetron reactor for preparation of thin films and simultaneous in situ structural study by X-ray diffraction
(Amer Inst Physics, 2013-01)
The purpose of the designed reactor is (i) to obtain polycrystalline and/or amorphous thin films by controlled deposition induced by a reactive sputtering magnetron and (ii) to perform a parallel in situ structural study ...