goodvibes
Calculates corrections for calculation output files with temperature and haptic corrections
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Description
A simple way to compute corrections to thermochemical data from frequency calculations at a given temperature/concentration. Frequency data is corrected using vibrational scaling-factors and quasi-harmonic effects.
About
Summary
Calculates corrections for calculation output files with temperature and haptic corrections
Last Updated
Jul 23, 2019 at 16:49
License
MIT
Total Downloads
1.1K
Supported Platforms
linux-64
macOS-64
win-64