Abstract:Quantum and classical studies of vibrational motion of CH 5 + on a global potential energy surface obtained from a novel ab initio direct dynamics approach Abstract. Vibrational spectral analysis of L-Alanylglycine (L-Ala-GIy) is carried out using NIR FT-Raman and FT-IR spectroscopy, supported by density functional theory (DPT) calculations to obtain the equilibrium geometry, bonding features and harmonic vibrational frequencies. The assignments of the \dbrational spectra have been carried out with the help of… Show more
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