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transition-state-theory
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Book on Chemical Reactions and Dynamical Systems
- Updated
Apr 11, 2023 - TeX
Multifunctional geometry optimization tools for quantum chemical calculations
pythonchemistryoptimizerpython3open-sciencecomputational-chemistryquantum-chemistryasepsi4geometry-optimizationpyscftransition-state-theorytransition-statestransition-state
- Updated
Nov 4, 2025 - Python
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