Listar por autor "Fallaque Najar, Joel"
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A theoretical approach of the ethanol adsorption on Au(100), Au(110) and Au(111) surfaces
Fallaque Najar, Joel; Morales Gomero, Juan Carlos; Timón, Vicente (Elsevier, 2019)Acceso restringidoThe adsorption of ethanol on Au(100), Au(110) and Au(111) surfaces was studied using electronic structure calculations under the scheme of the density functional theory (DFT) with van der Waals corrections, vdW-DF2 and PBE ...