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          Institute: MPI für Kohlenforschung     Collection: Publikationen MPI für Kohlenforschung     Display Documents



ID: 119191.0, MPI für Kohlenforschung / Publikationen MPI für Kohlenforschung
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
Authors:Sherwood, P.; de Vries, A. H.; Guest, M. F.; Schreckenbach, G.; Catlow, C. R. A.; French, S. A.; Sokol, A. A.; Bromley, S. T.; Thiel, W.; Turner, A. J.; Billeter, S.; Terstegen, F.; Thiel, S.; Kendrick, J.; Rogers, S. C.; Casci, J.; Watson, M.; King, F.; Karlsen, E.; Sjøvoll, M.; Fahmi, A.; Schäfer, A.; Lennartz, C.
Language:English
Date of Publication (YYYY-MM-DD):2003-08-01
Title of Journal:Journal of Molecular Structure-Theochem
Journal Abbrev.:J. Mol. Struct.: Theochem
Volume:632
Issue / Number:Sp. Iss. Sp. Iss. SI
Start Page:1
End Page:28
Review Status:Peer-review
Audience:Experts Only
Free Keywords:catalysis, ChemShell, QUASI, embedding
Comment of the Author/Creator:Date: 2003, AUG 1
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für Kohlenforschung
External Affiliations:CLRC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England.; Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England.; Synetix, Billingham TS23 1LB, Cleveland, England.; Norsk Hydro Oil & Energy Res Ctr, Sect Hydrocarbon Proc & Catalysis, N-3907 Porsgrunn, Norway.; BASF AG, Aktiengesellschaft ZX ZC, D-67056 Ludwigshafen, Germany.
Identifiers:ISI:000185399100002 [ID No:1]
ISSN:0166-1280 [ID No:2]
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