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Low energy barriers of H-atom abstraction from phenols
Oksana Tishchenko
, Eugene S. Kryachko
, Minh Tho Nguyen
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
15
Scopus citations
Overview
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Keyphrases
Vitamin E
100%
Energy Barrier
100%
Aromatic Ring
100%
Transition State
100%
Hydrogen Abstraction
100%
Hydrogen Atom Transfer
100%
B3LYP/6-31G(d,p)
100%
Coplanar
100%
Avoided Crossing
100%
First Excited State
100%
Phenoxyl Radical
100%
Low Energy Barrier
100%
Low-lying Electronic States
100%
Dimethylphenol
100%
H-bonded Complex
100%
Hydrogen Bonds (H-bonds)
100%
Transition State Structure
100%
Trimethylphenols
100%
Chemistry
Energy Barrier
100%
Excited State
50%
Electronic State
50%
Transition State
50%
DFT-B3LYP Calculation
50%
Transition State Structure
50%
Aromatic Structure
50%
Hydrogen Atom
50%
Vitamin E
50%
Phenol
50%