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P Sherwood
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Authored
7 records found
QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis
Journal article -
P Sherwood
,
AH de Vries
,
S Billeter
,
F Terstegen
,
S Thiel
,
J Kendrick
,
SC Rogers
,
J Casci
,
M Watson
,
F King
,
E Karlsen
,
M Sjovoll
,
MF Guest
,
A Fahmi
,
A Schafer
,
C Lennartz
,
G Schreckenbach
,
CRA Catlow
,
S.A. French
,
AA Sokol
,
ST Bromley
,
W Thiel
,
AJ Turner
Assignment of the complex vibrational spectra of the hydrogenated ZnO polar surfaces using QM/MM embedding
Journal article -
S.A. French
,
AA Sokol
,
ST Bromley
,
CRA Catlow
,
SC Rogers
,
P Sherwood
Identification and characterization of active sites and their catalytic processes - the C/ZnO methanol catalyst
Journal article -
S.A. French
,
AA Sokol
,
ST Bromley
,
CRA Catlow
,
P Sherwood
Metal cluster support interactions in the Cu-ZnO system: a QM/MM study
Journal article -
ST Bromley
,
S.A. French
,
AA Sokol
,
CRA Catlow
,
P Sherwood
Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials
Journal article -
AA Sokol
,
ST Bromley
,
S.A. French
,
CRA Catlow
,
P Sherwood
From CO2 to Methanol by Hybrid QM/MM Embedding.
Journal article -
S French
,
AA Sokol
,
ST Bromley
,
CRA Catlow
,
S Rogers
,
F King
,
P Sherwood
Novel Solid State Hybrid QM/MM Embedding Investigation into Methanol Synthesis over Cu Supported on ZnO Catalysts.
Conference paper -
S French
,
ST Bromley
,
AA Sokol
,
CRA Catlow
,
J Kendrick
,
S Rogers
,
P Sherwood