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Theoretical and experimental study on metal(II) halide complexes of 1,3-bis(4-pyridyl)propane
(SPRINGER, 2009)
We report the results of detailed experimental and theoretical studies on the molecular structure and vibrational spectra of metal(II) halide complexes of 1,3-bis(4-pyridyl)propane [M(N2C13H14)X-2, where M represents Zn ...
DFT, FT-Raman, FT-IR and NMR studies of 2-fluorophenylboronic acid
(WILEY-BLACKWELL, 2009)
The experimental and theoretical vibrational spectra of 2-fluorophenylboronic acid (2fpba) were studied. The Fourier transform Raman and Fourier transform infrared spectra of the 2fpba molecule were recorded in the solid ...
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 ...
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 ...
FT-Raman and FT-IR spectral and quantum chemical studies on some flavonoid derivatives: Baicalein and Naringenin
(JOHN WILEY & SONS LTD, 2009)
In this study, the experimental and theoretical results on the molecular structures of some flavonoid derivatives (Baicalein and Naringenin) are presented. The FT-IR and FT-Raman spectra of the compounds have been recorded ...
Molecular structure and vibrational spectra of 1,3-bis(4-piperidyl)propane by quantum chemical calculations
(ELSEVIER SCIENCE BV, 2008)
The infrared and Raman spectra of 1,3-bis(4-piperidyl)propane molecule have been recorded between 4000-400 cm(-1) region and 3500-150 cm(-1) region, respectively. The vibrational frequencies of the molecule are investigated. ...
