DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid.

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作者： T K,Shameera Ahamed ^[1] ; Vijisha K,Rajan ^[1] ; K,Sabira ^[1] ; K,Muraleedharan ^[2]

作者单位： Department of Chemistry, University of Calicut, Malappuram, 673635, India. ^[1] Department of Chemistry, University of Calicut, Malappuram, 673635, India. Electronic address: kmuralika@gmail.com. ^[2]

关键词 Antioxidant Atranorin DFT Diffractaic acid Evernic acid

主题词茴香醚类(Anisoles);抗氧化剂(Antioxidants);氢键合(Hydrogen Bonding);模型, 化学(Models, Chemical);分子构象(Molecular Conformation);氧化还原(Oxidation-Reduction);质子(Protons);热力学(Thermodynamics);水(Water)

DOI 10.1016/j.compbiolchem.2019.03.009

PMID 30928870

发布时间 2019-07-29

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Computational biology and chemistry

2019年80卷

66-78页

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DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid.

Computational biology and chemistry

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Computational biology and chemistry

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DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid.

Computational biology and chemistry

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Computational biology and chemistry

相关期刊

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