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| File | Retrieve |
|---|---|
| cyclazine_Mode_A2_1181.457_+0.05.log | Download |
| cyclazine_Mode_A2_1239.268_+0.05.log | Download |
| cyclazine_Mode_A2_1514.185_+0.05.log | Download |
| cyclazine_Mode_A2_1922.114_+0.05.log | Download |
| cyclazine_Mode_A2_3214.127_+0.05.log | Download |
| cyclazine_Mode_A2_607.626_+0.05.log | Download |
| cyclazine_Mode_E_135.399_+0.05.log | Download |
| cyclazine_Mode_E_135.413_+0.05.log | Download |
| cyclazine_Mode_E_493.001_+0.05.log | Download |
| cyclazine_Mode_E_493.042_+0.05.log | Download |
| cyclazine_Mode_E_633.081_+0.05.log | Download |
| cyclazine_Mode_E_633.083_+0.05.log | Download |
| cyclazine_Mode_E_725.159_+0.05.log | Download |
| cyclazine_Mode_E_725.162_+0.05.log | Download |
| cyclazine_Mode_E_873.108_+0.05.log | Download |
| cyclazine_Mode_E_873.113_+0.05.log | Download |
| cyclazine_Mode_E_897.538_+0.05.log | Download |
| cyclazine_Mode_E_897.549_+0.05.log | Download |
| cyclazine_S1_pbe0-def2tzvp.com | Download |
| output.cml | Download |
Metadata:
| Title: | /PBE0/vibrational_analysis Cyclazine-positive |
| Authors: | Pires-Valverde, Danillo |
| Issue Date: | 19-Mar-2024 |
| Publisher: | Matter Lab |
| Description: | Displacement along the normal modes of cyclazine (positive displacement). SOC is computed at the TDA-PBE0/def2-TZVP with QChem. |
| URI: | https://iochem-bd.matter.toronto.edu/browse/handle/100/85 |
| Appears in Collections: | INVEST-molecules |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/85
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