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| Title: | /Scaling_factors H2O_(opt-freq)_-_M06-2X_6-311++G_No_solvation |
| Authors: | Nicolaou, Michael |
| Issue Date: | 14-Sep-2023 |
| Publisher: | Barcelona Supercomputing Center |
| Description: | Geometry optimisation and vibrational frequency calculation of H2O using M06-2X/6-311++G, no solvation. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/308291 |
| 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/100/308291
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