Investigation of ground state tautomeric form of a heterocyclic disazo dye derived from barbituric acid by ab initio Hartree-Fock and density functional theory calculations

Journal of Molecular Structure: THEOCHEM

Volumn 868, Issue 1-3, 2008, Pages 94-100

  Ucun, Fatih ^a   Saǧlam, Adnan ^a   Kara, Izzet ^b   Karci, Fati ^b  

^a SULEYMAN DEMIREL UNIVERSITY   (Turkey)

^b PAMUKKALE UNIVERSITY   (Turkey)

Author keywords

DFT; Disazo dyes; HF; IR spectra; Vibrations

Indexed keywords

EID: 53349163282     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.08.009     Document Type: Article

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