نتایج جستجو برای: vibrational analysis

تعداد نتایج: 2839535  

Journal: :Bulletin of the Chemical Society of Japan 1972

Journal: :Journal of the American Chemical Society 2005

Journal: :The European physical journal. E, Soft matter 2010
L Bongini F Piazza L Casetti P De Los Rios

In this paper we analyze the vibrational spectra of a large ensemble of non-homologous protein structures by means of a novel tool, that we coin Hierarchical Network Model (HNM). Our coarse-grained scheme accounts for the intrinsic heterogeneity of force constants displayed by protein arrangements and also incorporates side chain degrees of freedom. Our analysis shows that vibrational entropy p...

2015
František Šanda Václav Perlík Craig N. Lincoln Jürgen Hauer

Center line slope (CLS) analysis in 2D infrared spectroscopy has been extensively used to extract frequency-frequency correlation functions of vibrational transitions. We apply this concept to 2D electronic spectroscopy, where CLS is a measure of electronic gap fluctuations. The two domains, infrared and electronic, possess differences: In the infrared, the frequency fluctuations are classical,...

Journal: :Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2010
V Arjunan I Saravanan P Ravindran S Mohan

The Fourier transform infrared (FTIR) and FT-Raman spectra of 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one have been recorded in the range 3700-400 and 3700-100 cm(-1), respectively. The complete vibrational assignment and analysis of the fundamental modes of the compounds were carried out using the observed FTIR and FT-Raman data. The vibrational frequencies determined exper...

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