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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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