Buscar
Mostrando ítems 31-40 de 1732
Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: aspectos experimentais (eletroquímica) e teóricos (ab initio e Teoria do Funcional da Densidade)
(Sociedade Brasileira de Química, 2001-08-01)
The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The ...
Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: aspectos experimentais (eletroquímica) e teóricos (ab initio e Teoria do Funcional da Densidade)
(Sociedade Brasileira de Química, 2001-08-01)
The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The ...
Experimental (electrochemistry) and theoretical (ab initio and density functional theory) studies of hydrogen and sulfide adsorption on palladium (100) surface.
(Soc Brasileira Quimica, 2001-07-01)
The adsorption of H And S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The ...
Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: Aspectos experimentais (eletroquímica) e teóricos (ab initio e teoria do funcional da densidade)
(2001-07-01)
The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The ...
Xeractinol - A new flavanonol C-glucoside from Paepalanthus argenteus var. argenteus (Bongard) Hensold (Eriocaulaceae)
(Soc Brasileira Quimica, 2007-01-01)
New compound isolated from methanolic extract from the leaves of Paepalanthus argenteus var. argenteus (Bongard) Hensold was characterized as xeractinol, a new dihydroflavonol C-glucoside. The structure was elucidated on ...
New determination of the adiabatic ionization potential of the BaOH radical from laser photoionization-molecular beam experiments and ab initio calculations
(American Institute of Physics, 2012-02)
The adiabatic ionization potential of the BaOH radical, as generated in a laser vaporization-supersonic expansion source has been determined by laser photoionization experiments to be (4.55 ± 0.03) eV. This value supports ...
Theoretical study of the Au-ethylene interaction
(John Wiley, 1999)
The basis-set dependence and quasirelativistic and nonrelativistic effects on the Au - C2H4 interaction are examined at the ab initio level. The effects on the interaction energies are modulated by f-type polarization ...