Theoretical study on the antioxidant properties of 2′- hydroxychalcones: H-atom vs. electron transfer mechanism

Journal of Molecular Modeling

Volumn 19, Issue 9, 2013, Pages 3851-3862

  Xue, Yunsheng ^a   Zheng, Youguang ^a   Zhang, Ling ^a   Wu, Wenya ^a   Yu, Ding ^a   Liu, Yi ^a  

^a XUZHOU MEDICAL UNIVERSITY   (China)

Author keywords

DFT; Hydrogen atom transfer; Hydroxychalcones; Radical scavenging; Sequential proton loss electron transfer; Stepwise electron transfer proton transfer

Indexed keywords

2' HYDROXYCHALCONE DERIVATIVE; ANTIOXIDANT; CHALCONE DERIVATIVE; HYDROGEN; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY TRANSFER; ENTHALPY; IONIZATION; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVENT EFFECT; THEORETICAL STUDY;

ANTIOXIDANTS; CHALCONES; ELECTRONS; HYDROGEN; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PROTONS; SOLVENTS; THERMODYNAMICS;

EID: 84882865747     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1921-x     Document Type: Article

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