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kinisot

Kinetic and equilibrium isotope effects from computed Hessians

Ecosystem
pypi.org
Latest Release
2.6.0
about 1 month ago
Versions
5
Downloads
252 last month
Dependent Repos
1
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/kinisot
    spec
    License MIT
    First Release over 9 years ago
    Last Synced 4 days ago
    Keywords
    compchem kie eqe dft vibrational-scaling-factors kinisot frequencies isotope-effects gaussian quiver
    Repository
    Stars 24 on GitHub
    Forks 7 on GitHub
    Commits 52
    Committers 3
    Avg per Author 17.333
    DDS 0.404
    commits.ecosyste.ms
    repos.ecosyste.ms