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The activation of methyl acetate (CH3COOCH3) has been studied using periodic density functional theory calculations to probe the effect of Pd surface structure on this reaction.
Herein, the effect of incorporating Cu into a cobalt-based cluster, supported on the partially hydroxylated γ-Al2O3 (1 1 0) surface, on CO2 adsorption has been studied using periodic density functional theory calculations.
The activation of methanol (CH3OH) via HO and of methyl acetate (CH3COOCH3) via CO and CH bond dissociations, has been studied using periodic density functional theory to probe the effect of small amount of higher basic alkaline earth metals in MgO(100) surface.
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Structure of the wurtzite CdS {0001} facets was studied using periodic density functional theory.
Specific anion adsorption of sulfate and bisulfate anions to the Pt(1 1 1) surface was studied using periodic density functional theory (DFT) methods.
Therefore, the interaction between hydrogen, carbon monoxide or oxygen with the surface of a PdAg model alloy was studied using periodic self-consistent density functional theory (DFT-GGA) calculations.
In this work, the effective thermal conductivity and the gas-solid interfacial heat transfer of coated metal foams were studied using a periodic unit cell model in the CFD method.
For the system in the sub-critical speed regime, the periodic solutions are studied using the pseudo-arclength continuation method, while the global dynamics is investigated numerically.
Unit cells are studied using a finite element method with periodic boundary conditions in order to predict effective electrical/thermal conductivities and elastic moduli of these TPMS-based foams.
Currently, ANEs are studied using the Box Jenkins methodology to fit periodic autoregressive models (PAR(p)) and their order (p).
In the present paper, the dynamic stability of thin, isotropic cylindrical shells under combined static and periodic axial forces is studied using four common thin shell theories; namely, the Donnell, Love, Sanders and Flugge shell theories.
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