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| Title: | LB209_AILFT-CASSCF-NEVPT2 |
| Authors: | Nesterov, Dmytro |
| Issue Date: | 23-Jul-2026 |
| Publisher: | Barcelona Supercomputing Center |
| Abstract: | AILFT CAS(5,5) calculation with SC-NEVPT2 correction. Atomic coordinates are from the LB209_DFT-OPT-Hydrogens calculation. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/501208 |
| Appears in Collections: | LB209 - DOI: 10.19061/iochem-bd-6-687 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/501208
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