Listar por tema "Methanol"
Mostrando ítems 1-4 de 4
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A DFT study of methanol dissociation on isolated vanadate groups
Elsevier (2008)Molecular and dissociative adsorption processes of methanol on isolated vanadate groups have been studied by means of density functional theory calculation at the B3LYP computing level. The catalyst is represented by an ... -
Intrinsic gas-phase reactivity toward methanol of trinuclear tungsten W3S4 complexes bearing W-X (X=Br, OH) groups
American Chemical Society (2008-11)Electrospray ionization (ESI) tandem mass spectrometry is used to investigate the gas-phase dissociation of trinuclear sulfide W3S4 complexes containing three diphosphane ligands and three terminal bromine atoms, namely, ... -
Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties
Royal Society of Chemistry (2015-06)1-Methyl-3-(2-((pyridin-2-ylmethylene)amino)ethyl)-1H-imidazol-3-ium bromide was prepared and used as an N-heterocyclic carbene NNC-pincer ligand precursor. Depending on the coordination strategy, a monometallic ... -
Unraveling the Mechanisms of the Selective Oxidation of Methanol to Formaldehyde in Vanadia Supported on Titania Catalyst
American Chemical Society (2010)A computational study based on B3LYP calculations was carried out to investigate the kinetic and mechanistic aspects of the selective oxidation of methanol to formaldehyde using titania-supported vanadate as a catalyst ...