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| Title: | /Scaling_factors H2O_(opt-freq)_-_PBE0-DH_6-311++G(2d,2p)_No_solvation |
| Authors: | Nicolaou, Michael |
| Issue Date: | 9-Oct-2025 |
| Publisher: | University of Glasgow |
| Abstract: | Geometry optimisation and vibrational frequency calculation of H2O using PBE0-DH/6-311++G(2d,2p), no solvation. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/479248 |
| Appears in Collections: | Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283 |
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