Experimental and theoretical studies of the molecular structure of 4-(3-(1H-imidazol-1-yl)propyl)-5-p-tolyl-2H-1,2,4-triazol-3(4H)-one

Journal of Molecular Structure

Volumn 984, Issue 1-3, 2010, Pages 137-145

  Ustaba, Reat ^a   Süleymanolu, Nevin ^b   Tanak, Hasan ^a   Alpaslan, Yelda Bingöl ^a   Ünver, Yasemin ^c   Sancak, Kemal ^c  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

^c KARADENIZ TECHNICAL UNIVERSITY   (Turkey)

Author keywords

1,2,4 Triazol; Density functional theory; Imidazol; IR and NMR spectroscopy; Molecular electrostatic potential

Indexed keywords

1,2,4-TRIAZOL; DENSITY FUNCTIONALS; IMIDAZOL; IR AND NMR SPECTROSCOPY; MOLECULAR ELECTROSTATIC POTENTIALS;

CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTROSTATICS; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SULFUR COMPOUNDS; X RAY DIFFRACTION;

DENSITY FUNCTIONAL THEORY;

EID: 78649333990     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.09.018     Document Type: Article

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