Published July 16, 2020
| Version 1.1.0
Software
Open
IR SPect: A Python tool to extract frequencies and IR/Raman intensities from Gaussian calculations and to compute the IR spectra.
Authors/Creators
- 1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy
Description
Python tool to extract frequencies and IR/Raman intensities from Gaussian calculations and to compute the IR spectra.
Files
Files
(317.4 kB)
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md5:a825ef80c2fc9b37a57dd6ce470d6bfc
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317.4 kB | Download |