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Furan interaction with the Si(001)-(2 x 2) surface: structural, energetics, and vibrational spectra from first-principles
(IOP PUBLISHING LTD, 2009)
In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of furan on the silicon (001) surface. ...
Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and Ab initio SCF studies
(2000)
Electrocyclic transformation between cis-butadiene and cyclobutene has been studied at the HF and DFT levels with 6-311G** basis sets. The disrotatory stationary point with two imaginary vibrational frequencies is associated ...
Oxygen assisted H2O dissociation on the Pt{110}(1 × 2) surface from first principles
(Elsevier Science, 2014-04)
Water dissociation with and without oxygen coadsorption is investigated on the Pt{110}(1 × 2) surface at low coverage from first principles. Calculations indicate that desorption of the water molecule is likely to occur ...
Electronic Fine Structure in the Electron-Hole Plasma in SrB6
(American Physical Society, 2000-07)
Electron-hole mixing-induced fine structure in alkaline earth hexaborides leads to lower energy (temperature) scales, and thus a stronger tendency toward an excitonic instability than in their doped counterparts (viz. ...
O princípio constitucional da precaução como instrumento de tutela do meio ambiente e da saúde pública
(Pontifícia Universidade Católica do Rio Grande do SulPorto Alegre, 2008)
A presente dissertação de mestrado aborda o princípio constitucional da precaução como instrumento de tutela do meio ambiente e da saúde pública. São analisadas neste trabalho a base legal e evolução legislativa do princípio ...
O princípio constitucional da precaução como instrumento de tutela do meio ambiente e da saúde pública
(Pontifícia Universidade Católica do Rio Grande do SulPorto Alegre, 2008)
A presente dissertação de mestrado aborda o princípio constitucional da precaução como instrumento de tutela do meio ambiente e da saúde pública. São analisadas neste trabalho a base legal e evolução legislativa do princípio ...
Shahname Firdausi and Transformational Management with Attitude Comparison Ulrich Transformation Pattern
(Universidade Federal de Santa Maria, 2015)
Fluid dynamics in three 25-gauge vitrectomy systems: principles for use in vitreoretinal surgery
(Blackwell Publishing, 2008-03-01)
Purpose: To compare infusion and extrusion fluid volumes with three 25-gauge vitrectomy systems.Methods: the infusion and aspiration rates of 25-gauge systems from Alcon (Fort Worth, TX, USA), Bausch & Lomb (St Louis, MO, ...