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Journal article (2)

2 records found

1

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

Journal article (2003) - P Sherwood (author) , AH de Vries (author) , S Billeter (author) , F Terstegen (author) , S Thiel (author) , J Kendrick (author) , SC Rogers (author) , J Casci (author) , M Watson (author) , F King (author) , E Karlsen (author) , M Sjovoll (author) , MF Guest (author) , A Fahmi (author) , A Schafer (author) , C Lennartz (author) , G Schreckenbach (author) , CRA Catlow (author) , S.A. French (author) , AA Sokol (author) , ST Bromley (author) , W Thiel (author) , AJ Turner (author)

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

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