Third Microsymposium of the "International Scholarship Program for Graduate Studies in Faculty of Chemistry, University of Warsaw - From simple molecules to nanostructured and bioactive materials" October 6 - 8th, 2011, Palace in Łochów, Poland
Chronicle
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Friday Oct. 7th 11:00 - 11:30 - Kamil Polok A simulation study of the Optical Kerr effect in methanol/acetone mixtures A molecular dynamics simulation study is presented for the acetone/methanol mixtures in the whole mole fractions range. The time correlation functions for the collective polarizability anisotropy, the optical Kerr effect response, and the low frequency response are analyzed in terms of the intrinsic and induced polarizability contributions. The calculated low frequency response was compared with the experimental spectra obtained from both the Fourier transform of the optical Kerr effect signal and low frequency Raman experiment and analyzed in terms of translational and rotational motions of acetone and methanol molecules. The behavior of the dynamical properties was analyzed through the change in the local structure which was characterized by Vorono? polyhedral and nearest neighbor approach. 
Discussion 
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