Synthesis, structure characterization and quantum chemical study on relationship between structure and antioxidant properties of novel Schiff bases bearing (thio)/carbohydrazones

2021 ◽  
Author(s):  
Halit Muğlu ◽  
Hasan Yakan ◽  
Amhimmid Ghayth Amhimmid Misbah ◽  
M. Serdar Çavuş ◽  
Temel Kan Bakır
Keyword(s):  
Schiff Bases ◽  
Quantum Chemical ◽  
Antioxidant Properties ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structure Characterization

scholarly journals A quantum chemical study on the mechanism of cis-trans isomerization in retinal-like protonated Schiff bases

1988 ◽  
Vol 110 (5) ◽  
pp. 1406-1415 ◽  
Author(s):  
Guido J. M. Dormans ◽  
Gerrit C. Groenenboom ◽  
Wim C. A. Van Dorst ◽  
Henk M. Buck
Keyword(s):  
Schiff Bases ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Trans Isomerization

scholarly journals Exploring the Antioxidant Activity of Thiaflavan Compounds: a Quantum Chemical Study

2021 ◽  
Author(s):  
Douniazed Hannachi ◽  
Nour El Houda Amrane ◽  
Lynda Merzoud ◽  
Henry Chermette
Keyword(s):  
Quantum Chemical ◽  
Density Functional ◽  
Antioxidant Properties ◽  
Quantum Chemical Study ◽  
Density Functional Theory Calculations ◽  
Chemical Study ◽  
Bond Dissociation Enthalpy ◽  
Functional Theory ◽  
Dissociation Enthalpy ◽  
B3lyp Level

Density functional theory calculations at B3LYP level are performed to theoretically investigate the antioxidant properties of 30 thiaflavan compounds. The main theoretical parameters, such as bond dissociation enthalpy, ionization potential,...

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