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rrho
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4 search results found
Goodvibes
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124
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Overreact
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45
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
Aarontools.py
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33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Overreact Guide
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6
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
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