QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
Paul Sherwood, Alex H. de Vries, Martyn F. Guest, Georg Schreckenbach, C.Richard A. Catlow, Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, Walter Thiel, Alex J. Turner, Salomon Billeter, FrankVolume:
632
Année:
2003
Langue:
english
Pages:
28
DOI:
10.1016/s0166-1280(03)00285-9
Fichier:
PDF, 680 KB
english, 2003