ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Metadata:
| Title: | /RMS-CASPT2/optimizations heptazine_optS2 |
| Authors: | Pires-Valverde, Danillo |
| Issue Date: | 19-Mar-2024 |
| Publisher: | Matter Lab |
| Description: | Geometry optimization of the S2 state for heptazine |
| URI: | https://iochem-bd.matter.toronto.edu/browse/handle/100/66 |
| Appears in Collections: | INVEST-molecules |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/66
Item files in Browse 
HTML5 resume (see conditions inside)