نتایج جستجو برای: vibrational behavior
تعداد نتایج: 637038 فیلتر نتایج به سال:
This paper presents the effect of friction-induced vibration between two beams in relative motion according to Timoshenko’s beam theory. system is composed cantilever screwed together, allowing friction force occur contact interface. The nonlinear behavior can be divided into phases: stick and slip. differential equations phases are developed, with precision transition condition each phase. A n...
Thermal stability and hydration behavior of ritonavir sulfate: A vibrational spectroscopic approach☆
Ritonavir sulfate is a protease inhibitor widely used in the treatment of acquired immunodeficiency syndrome. In order to elucidate the inherent stability and sensitivity characteristics of ritonavir sulfate, it was investigated under forced thermal and hydration stress conditions as recommended by the International Conference on Harmonization guidelines. In addition, competency of vibrational ...
The dynamics of dimethyl sulfoxide (DMSO)/water solutions with a wide range of water concentrations are studied using polarization selective infrared pump-probe experiments, two-dimensional infrared (2D IR) vibrational echo spectroscopy, optical heterodyne detected optical Kerr effect (OHD-OKE) experiments, and IR absorption spectroscopy. Vibrational population relaxation of the OD stretch of d...
FT Raman and FTIR spectra of Naphthazarin (5,8-dihydroxy-1,4-naphthoquinone) and its deuterated analogue are recorded. Comparison between the spectra obtained by two techniques, a series of density functional theory (DFT) calculations and the spectral behavior upon deuteration were used for the assignment of the vibrational spectra of this compound. The calculated vibrational frequencies by the...
The aim of the present paper is to investigate the use of quantum chemistry calculations to obtain the torsional dependence of various structural and vibrational-force-field-related quantities that could help in estimating the vibration–torsion–rotation interaction terms needed to treat perturbations observed in the spectra of methanol-like molecules. We begin by using the Gaussian suite of pro...
The vibrational wavepacket of a diatomic molecular ion at the time of ionization is usually considered to be generated on the basis of the Franck-Condon principle. According to this principle, the amplitude of each vibrational wavefunction in the wavepacket is given by the overlap integral between each vibrational wavefunction and the ground vibrational wavefunction in the neutral molecule, and...
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