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Physicochemical Mechanics Instead of Transition State Theory

Nikolai M Kocherginsky1

  • 1University of Illinois at Urbana-Champaign, Next-ChemX, 909 E. Sunnycrest drive, Urbana, Illinois 61801, United States.

The Journal of Physical Chemistry. A
|July 11, 2024
PubMed
Summary

Physicochemical mechanics offers a new approach to chemical kinetics, overcoming limitations of transition state theory (TST) for describing reaction rates and equilibria. This classical mechanics-based method accurately models various reaction types without needing pseudoequilibrium assumptions.

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