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| Title: | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_6-31G(d,p)_-_No_solvation |
| Authors: | Nicolaou, Michael |
| Issue Date: | 14-Sep-2023 |
| Publisher: | Barcelona Supercomputing Center |
| Description: | Geometry optimisation of Vanillin using M06-2X/6-31G(d,p), no solvation. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/308178 |
| Appears in Collections: | Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/308178
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