QUILD: QUantum‐regions interconnected by local descriptions
Abstract 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...
| Published in: | Journal of Computational Chemistry |
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| Main Authors: | , |
| Format: | Article in Journal/Newspaper |
| Language: | English |
| Published: |
Wiley
2007
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| Subjects: | |
| Online Access: | http://dx.doi.org/10.1002/jcc.20834 https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fjcc.20834 https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.20834 |