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

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.

doi:10.1016/S0166-1280(03)00285-9

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

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Thiel, W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel, S.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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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. (2003). QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis. Journal of Molecular Structure-Theochem, 632(Sp. Iss. Sp. Iss. SI), 1-28. doi:10.1016/S0166-1280(03)00285-9.

引用: https://hdl.handle.net/11858/00-001M-0000-000F-9845-9

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