PS

P Sherwood

7 records found

Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials

Assignment of the complex vibrational spectra of the hydrogenated ZnO polar surfaces using QM/MM embedding

Metal cluster support interactions in the Cu-ZnO system: a QM/MM study

Identification and characterization of active sites and their catalytic processes - the C/ZnO methanol catalyst

QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis

Novel Solid State Hybrid QM/MM Embedding Investigation into Methanol Synthesis over Cu Supported on ZnO Catalysts.

From CO2 to Methanol by Hybrid QM/MM Embedding.