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