Software Listing of Author : "Maxim Fedorovsky"
- PyVib2
- License: Freeware
- Price: 0.00


PyVib2 was developed as an Open Source tool for analyzing vibrational motion and vibrational spectra.
PyVib2 permits the automatic correlation of vibrational motions of molecules thereby allowing an understanding of Raman, Raman optical activity (ROA), infrared vibrational absorption (IR), and vibrational circular dichroism (VCD) spectra.
The versatile representation of vibrational motions, the visualization techniques of Raman/ROA and IR/VCD generation in molecules and the production of publication quality spectra, are features of PyVib2.
Output files of Raman/ROA and IR/VCD calculations, produced with the DALTON and Gaussian quantum chemistry packages, can be directly opened. Files in the MOLDEN and XMol XYZ format can be imported and exported.
A variety of formats (TIFF, PNG, PDF,...
- Publisher: Maxim Fedorovsky
- Date Released:
- Download
- Platform: WinOther
- PyVib2 for Windows
- License: Shareware
- Price:


PyVib2 is a program for analyzing vibrational motion and vibrational spectra, written in pure Python. The program was developed by Maxim Fedorovsky during his Ph.D. thesis work in Prof. Werner Hug's research group. PyVib2 permits the automatic correlation of vibrational motions of molecules thereby allowing an understanding of Raman, Raman optical activity (ROA), infrared vibrational absorption (IR), and vibrational circular dichroism (VCD) spectra. The versatile representation of vibrational motions, the visualization techniques of Raman/ROA and IR/VCD generation in molecules and the production of publication quality spectra, are features of PyVib2.
Output files of Raman/ROA and IR/VCD calculations, produced with the DALTON and Gaussian quantum chemistry packages, can be directly opened. Files in the MOLDEN and XMol XYZ...
- Publisher: Maxim Fedorovsky
- Date Released:
- Download Size: 17274 KB
- Download
- Platform: WinOther
