Experimental and quantum chemical calculational studies on 2-[(4-Fluorophenylimino)methyl]-3,5-dimethoxyphenol

Journal of Molecular Modeling

Volumn 16, Issue 3, 2010, Pages 577-587

  Tanak, Hasan ^a   Aǧar, Ayşen ^a   Yavuz, Metin ^a  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Electronic absorption spectra; Hartree Fock; Molecular electrostatic potential; Schiff base; Vibrational assignment

Indexed keywords

2 [(4 FLUOROPHENYLIMINO)METHYL] 3,5 DIMETHOXYPHENOL; SCHIFF BASE; UNCLASSIFIED DRUG; 2 ((4 FLUOROPHENYLIMINO)METHYL) 3,5 DIMETHOXYPHENOL; 2-((4-FLUOROPHENYLIMINO)METHYL)-3,5-DIMETHOXYPHENOL; DRUG DERIVATIVE; PHENOL DERIVATIVE; PHLOROGLUCINOL;

ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIPOLE; ENERGY TRANSFER; GEOMETRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; POLARIZATION; PRIORITY JOURNAL; QUANTUM CHEMISTRY; SPECTROSCOPY; SYNTHESIS; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROPHOTOMETRY; KINETICS; QUANTUM THEORY; STATIC ELECTRICITY; VIBRATION;

CRYSTALLOGRAPHY, X-RAY; ELECTRONS; HYDROGEN BONDING; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHENOLS; PHLOROGLUCINOL; QUANTUM THEORY; SCHIFF BASES; SPECTROPHOTOMETRY, INFRARED; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION;

EID: 77951214861     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0574-2     Document Type: Article

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