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Title: | /RMS-CASPT2/optimizations pentazine_optS0 |
Authors: | Pires-Valverde, Danillo |
Issue Date: | 19-Mar-2024 |
Publisher: | Matter Lab |
Description: | Geometry optimization of the S0 state for pentazine |
URI: | https://iochem-bd.matter.toronto.edu/browse/handle/100/73 |
Appears in Collections: | INVEST-molecules |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/73