ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Metadata:
| Title: | /Vanillin_benchmark Vanillin_(freq)_-_wB97X-D_6-311++G(2d,2p)_-_No_solvation |
| Authors: | Nicolaou, Michael |
| Issue Date: | 14-Sep-2023 |
| Publisher: | Barcelona Supercomputing Center |
| Description: | Bond vibrational frequency (IR, Raman) calculation of optimised Vanillin structure using wB97X-D/6-311++G(2d,2p), no solvation. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/308194 |
| 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/100/308194
Item files in Browse 
HTML5 resume (see conditions inside)