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