![]() ![]() The spectra are convoluted with Lorentzian curves and then plotted with Gnuplot. (Only available for Raman) This value determines the temperature used in the Raman intensity equation (see above).Ĭlick on the GaussSum icon to run the script. Struct., 2004, 702, 9) and Keresztury et al. ![]() (Only available for Raman) The value of the excitation wavelength is used to calculate the Raman intensities from the Raman activity (see below) using the equation described by Krishnakumar et al. The scaled frequencies are then used to generate the spectra. You can choose either a general or individual scaling factor (see below).The calculated frequencies are multiplied by the scaling factor. The Full Width at Half Maximum of each peak. This parameter determines the number of points in the calculated spectra. The spectra will be calculated for wavelengths between Start and End. ![]()
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