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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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Veröffentlicht in:ACS Omega
Hauptverfasser: Li, Jialu, Shen, Xiaochen, Pan, Yanbo, Peng, Zhenmeng
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2021
Online Zugang: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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