CO vibrational frequencies on methanol synthesis catalysts: a DFT study

• 1 January 2003
• journal article
• Published by Elsevier in Journal of Catalysis
• Vol. 213  (1) , 63-72
• https://doi.org/10.1016/s0021-9517(02)00040-4

Abstract

Keywords

• DENSITY FUNCTIONAL THEORY
• CATALYSIS
• METHANOL
• COPPER
• ZINC
• CARBON MONOXIDE