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Molecular structure and vibrational spectra of 1,3-bis(4-pyridyl)propane by quantum chemical calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2008)
The experimental and theoretical study on the structures and vibrations of 1,3-bis(4-pyridyl)propane are presented. The FFAR and Raman spectra of molecule have been measured. The optimized geometric bond lengths have been ...
Analysis of vibrational spectra of 2 and 3-methylpiperidine based on density functional theory calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2009)
The experimental and theoretical vibrational spectra of 2 and 3-methylpiperidine (abbreviated as 2-MP and 3-MP) were studied. The FT-Infrared spectra of 2-MP and 3-MP molecules were recorded in the liquid phase. The ...