A polarizable CASSCF/MM approach using the interface between OpenMMPol library and CFour
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arXiv
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| Main Authors: | Nottoli, Tommaso, Bondanza, Mattia, Lipparini, Filippo, Mennucci, Benedetta |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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