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Please use this identifier to cite or link to this item: http://dx.doi.org/10.25838/d5p-33
Title: FC-Fit
Authors: Krügler, Daniel
Schmitt, Michael
Keywords: Research Subject Categories::NATURAL SCIENCES
Research Subject Categories::NATURAL SCIENCES::Chemistry::Physical chemistry::Spectroscopy
Issue Date: 2022
Publisher: No
Abstract: FCfit is program for the simulation and fit of vibronic absorption and emission spectra based on the evaluation of relative Franck-Condon (FC) factors and/or Franck-Condon-Herzberg-Teller (FCHT) theory. The program computes the FC integrals of multidimensional, harmonic oscillators mainly based on the recursion formula given in the papers of Doktorov, Malkin, and Man’ko.
URI: https://researchdata.hhu.de/handle/entry/117
http://dx.doi.org/10.25838/d5p-33
Appears in Collections:FCFit program

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FCfit.exe15.19 MBUnknownView/Open
TurboMol2ZmtHess.exe1.79 MBUnknownView/Open
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