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Title: | /Scaling_factors N2O_(opt-freq)_-_M06-2X_6-311G_No_solvation |
Authors: | Nicolaou, Michael |
Issue Date: | 14-Sep-2023 |
Publisher: | Barcelona Supercomputing Center |
Description: | Geometry optimisation and vibrational frequency calculation of N2O using M06-2X/6-311G, no solvation. |
URI: | https://iochem-bd.bsc.es/browse/handle/100/308302 |
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/100/308302