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| Title: | /CAM-B3LYP_optimizations Subporphyrazine_(SubPz)_CAM-B3LYP_cc-pvtz |
| Authors: | Escayola, Silvia |
| Issue Date: | 1-Feb-2024 |
| Publisher: | UdG |
| Description: | CAM-B3LYP/cc-pVTZ optimizations. Inputs used for the ESI-3D for the calculation of the aromaticity are also uploaded in order to facilitate the data for the calculation of aromaticity indices. |
| URI: | https://iochem.udg.edu:8443/browse/handle/100/5154 |
| Appears in Collections: | (SUB)PHTHALOCYANINE_AROMATICITY - DOI: 10.19061/iochem-bd-4-71 |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5154
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