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Manuscript title: A computational study of the electrochemical cyanide reduction for ambient ammonia production on a nickel cathode†
Journal: Catal. Sci. Technol.
DOI: 10.1039/D1CY00820J
Metadata:
| Title: | /Mechanisms/Coverage_Path/NEB/TS2 TS2_Freq |
| Authors: | Brennan, Kevin |
| Issue Date: | 25-Feb-2021 |
| Publisher: | Irish Centre for High-End Computing Barcelona Supercomputing Center Trinity College Dublin |
| Description: | Frequency calculation for the second transition state |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/196940 |
| Appears in Collections: | Electro_CNRR - DOI: 10.19061/iochem-bd-6-78 |
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https://iochem-bd.bsc.es/browse/handle/100/196940
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