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SR

SC Rogers

2 records found

1

Authored

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

Journal article (2003) - 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 (2003) - S.A. French, AA Sokol, ST Bromley, CRA Catlow, SC Rogers, P Sherwood