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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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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Li, Jialu, Shen, Xiaochen, Pan, Yanbo, Peng, Zhenmeng
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha: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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