|
|
|
|
|
| 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] | |
|
|
|
The scope and number of records on eDoc is subject
to the collection policies defined by each institute
- see "info" button in the collection browse view.
|
|
Advanced