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pypi.org : kinisot
Compute Kinetic and Equibrium Isotope Effects from compchem outputs
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purl: pkg:pypi/kinisot
Keywords: compchem, kie, eqe, dft, vibrational-scaling-factors, kinisot, frequencies, gaussian, quiver
License: MIT
Latest release: 6 months ago
First release: about 7 years ago
Dependent repositories: 1
Downloads: 20 last month
Stars: 19 on GitHub
Forks: 4 on GitHub
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Last synced: 14 days ago