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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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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Li, Jialu, Shen, Xiaochen, Pan, Yanbo, Peng, Zhenmeng
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2021
Online adgang: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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