QUILD: QUantum-regions interconnected by local descriptions
A new program for multilevel (QM/QM and/or QM/MM) approaches is presented that is able to combine different computational descriptions for different regions in a transparent and flexible manner. This program, designated QUILD (for QUantum-regions Interconnected by Local Descriptions), uses adapted d...
| Published in: | Journal of Computational Chemistry |
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| Main Authors: | , |
| Format: | Article in Journal/Newspaper |
| Language: | English |
| Published: |
2008
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| Subjects: | |
| Online Access: | https://research.vu.nl/en/publications/a2f35e0f-da36-4170-9592-b3bba993de80 https://doi.org/10.1002/jcc.20834 |