_____________________ FT-IR AND RAMAN SPECTROSCOPY AND COMPUTATION OF 5-METHYLFURFURAL

Comparison of the frequencies calculated at DFT method using 6-31Gd,p basis set with experimental values reveals that the B3LYP method show very good agreement with experimental

experimental spectra (FT-IR, FT-IR-ATR) of the tripeptide, PLGA polymer and GHK-loaded PLGA NPs, the NP characterization was determined and the peaks shifted due to the

In conclusion, we report the experimental (FT-IR and FT-Raman spectra) and theoretical wave number and their intensity, total energy distributions, some electronic properties such as

These experimental facts indicate that the exposure of the activated sample to molecular oxygen at room temperature decreases the concentration of the oxygen vacancies and leads

In addition, some 4-phenylpyridine vibrational modes observed in the IR and Raman spectra of metal complexes are found to shift towards higher frequencies compared to

Structural optimizations are performed, vibrational wavenumber and 1 H and 13 C chemical shift values 5Br1HB molecule are calculated by DFT/B3LYP method and the results are

İlk önce 2M1HB5C molekülü optimize edildi, ardından optimize sonuçlar kullanılarak, molekülün yapısal geometrik parametreleri, titreşimsel frekansları (FT-IR ve

In this study, micro-Raman and Fourier transformed infrared (FT-IR) spectroscopies, X-ray diffraction (XRD) and scanning electron microscope with energy dispersive X-ray (SEM-EDX)