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quantum mechanics/molecular mechanics

Acronym: QM/MM

Also contains definition of: QC/MM

Hybrid procedure for the treatment of large molecular systems. A crucial part of the system (e.g., the chromophore and its surroundings) is treated explicitly by quantum mechanical (QM) techniques, whereas the rest of the system is approximated by a classical or molecular mechanics (MM) force field treatment.
Note:
Sometimes called QC/MM.
Source:
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 406
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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.QT07469.
Original PDF version: http://www.iupac.org/goldbook/QT07469.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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