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Output analyzer
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Welcome to the online analyzer of the output files generated by molecular modeling packages. This application is mainly based on the cclib python library. Currently, you can plot the UV and IR spectra by uploading the output file of your calculation. More functionalities coming soon
Loaded file:
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Set parameters for UV spectrum
Minimal wavelength
Maximal wavelength
Sigma
Set parameters for IR spectrum
Minimal wavenumber
Maximal wavenumber
Sigma
Simulated UV spectrum
Simulated IR Spectrum
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