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Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
CAlculation of NMR using Deep LEarning
Python version of Grimme's D3-dispersion correction for Gaussian input/output
Calculate Sterimol Parameters from Sructure Input/Output Files
Quick Reaction Coordinate using Python
Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation
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