A study of synthesis gas conversion to methane and methanol over a Mo6P3 cluster using density functional theory

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 1073-1084

  Zaman, Sharif F ^a   Smith, Kevin J ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

DFT; Methane; Methanol; Molybdenum phosphide; PES; Synthesis gas

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CARBON MONOXIDE; CATALYSIS; GAS ADSORPTION; GASES; HIGH PRESSURE EFFECTS; HYDROGEN; METHANE; METHANOL; MOLYBDENUM; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACES; SYNTHESIS GAS;

ADSORPTION ENERGIES; CLUSTER MODELS; DFT; GAS CONVERSIONS; MOLYBDENUM PHOSPHIDE; MOP CATALYSTS; PES; STABLE SURFACES;

DENSITY FUNCTIONAL THEORY;

EID: 56749102620     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802073040     Document Type: Article

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