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Radicalization and Radical Catalysis of Biomass Sugars: Insights from First-principles Studies

Ab initio and density functional calculations are conducted to investigate the radicalization processes and radical catalysis of biomass sugars. Structural alterations due to radicalization generally focus on the radicalized sites, and radicalization affects H-bonds in D-fructofuranose more than in...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Yang, Gang, Zhu, Chang, Zou, Xianli, Zhou, Lijun
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4942814/
https://ncbi.nlm.nih.gov/pubmed/27405843
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep29711
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