A density functional theory study of the reactivity descriptors and antioxidant behavior of Crocin

Computational and Theoretical Chemistry

Volumn 1013, Issue , 2013, Pages 123-129

  Akhtari, Keivan ^a,b   Hassanzadeh, Keyumars ^c   Fakhraei, Bahareh ^d   Fakhraei, Nahid ^e   Hassanzadeh, Halaleh ^c   Zarei, Seyed Amir ^c  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^b UNIVERSITY OF KURDISTAN   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

^d TARBIAT MODARES UNIVERSITY   (Iran)

^e TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

Antioxidant activity; Crocin; DFT; Fukui function; Molecular electrostatic potential

Indexed keywords

EID: 84876405498     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.03.015     Document Type: Article

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