DFT studies of the structure and vibrational and NMR spectra of 1-(2-methylpropenyl)-2-methylbenzimidazole

Journal of Molecular Structure

Volumn 917, Issue 2-3, 2009, Pages 158-163

  Infante Castillo, Ricardo ^a   Hernández Rivera, Samuel P ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

2 Methylbenzimidazole; 2 Methylpropenyl; Chemical shifts; DFT; GIAO

Indexed keywords

CHEMICAL SHIFT; CHROMATOGRAPHIC ANALYSIS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; EXPERIMENTS; GAS CHROMATOGRAPHY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MAGNETIC RESONANCE; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SHIELDING; SPECTROSCOPIC ANALYSIS; SULFUR COMPOUNDS;

2-METHYLBENZIMIDAZOLE; 2-METHYLPROPENYL; B3LYP FUNCTIONAL; BASIS SETS; DFT; DFT CALCULATIONS; DFT STUDIES; ELEMENTAL ANALYSES; EXPERIMENTAL VALUES; GAS CHROMATOGRAPHY-MASS SPECTROMETRIES; GIAO; NMR SIGNALS; SPECTROSCOPIC METHODS; STATISTICAL PARAMETERS; STRUCTURAL ISOMERS; THEORETICAL CALCULATIONS; VIBRATIONAL FREQUENCIES;

ISOMERS;

EID: 58149113056     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.07.008     Document Type: Article

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