Prediction of vibrational frequencies of possible intermediates and side products of the methanol synthesis on ZnO(0001) by ab initio calculations.
Kossmann, Jörg
Prediction of vibrational frequencies of possible intermediates and side products of the methanol synthesis on ZnO(0001) by ab initio calculations. [electronic resource] - The Journal of chemical physics Jan 2012 - 034706 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1089-7690
10.1063/1.3671450 doi
Methanol--chemical synthesis
Quantum Theory
Surface Properties
Thermodynamics
Vibration
Zinc Oxide--chemistry
Prediction of vibrational frequencies of possible intermediates and side products of the methanol synthesis on ZnO(0001) by ab initio calculations. [electronic resource] - The Journal of chemical physics Jan 2012 - 034706 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1089-7690
10.1063/1.3671450 doi
Methanol--chemical synthesis
Quantum Theory
Surface Properties
Thermodynamics
Vibration
Zinc Oxide--chemistry