Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with thermochemistry
A curated list of projects in awesome lists tagged with thermochemistry .
https://github.com/QChASM/AaronTools.py
Python tools for automating routine tasks encountered when running quantum chemistry computations.
catalysis compchem computational-chemistry density-functional-theory dft dft-calculations gaussian ir-spectra orca-quantum-chemistry psi4 python quantum-chemistry quantum-chemistry-automation quasi-harmonic-approximation rrho steric-parameters sterimol-parameters thermochemistry vibrational-entropies
Last synced: 04 Aug 2024
https://github.com/combustiontoolbox/combustion_toolbox
A MATLAB-GUI based open-source tool for solving gaseous combustion problems
app chemical-equilibrium combustion combustion-toolbox detonation dissociation hypersonics ionization linux macos matlab open-source rocket shock-waves thermochemical-code thermochemistry toolbox windows
Last synced: 28 Sep 2024
https://github.com/bobbypaton/GoodVibes
Calculate quasi-harmonic free energies from compchem output files with temperature and other corrections
gaussian orca quantum-chemistry thermochemistry vibrational-frequencies zero-point-energy
Last synced: 29 Sep 2024