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Fingerprinting the Ammonia Synthesis Pathway Using Spatiotemporal Electrostatic Potential Distribution of Intermediates

[Image: see text] It remains a research challenge in determining the catalytic reaction mechanisms primarily caused by the difficulty to experimentally identify active intermediates with current analytic characterizations. Although computational chemistry has provided an alternative approach to simu...

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Publicat a:ACS Omega
Autors principals: Li, Jialu, Shen, Xiaochen, Pan, Yanbo, Peng, Zhenmeng
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2021
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7948246/
https://ncbi.nlm.nih.gov/pubmed/33718719
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c05975
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