/tools/ARC

ARC

ReactionMechanismGenerator/ARC

48 stars24 forksPythonWebsiteAdded February 8, 2026
summary

ARC (Automated Rate Calculator) is a tool designed to automate electronic structure calculations, providing high-quality thermodynamic and kinetic data for chemical kinetic modeling. It processes molecular representations to compute properties such as thermodynamic values and rate coefficients.

description

ARC - Automatic Rate Calculator

topics

thermodynamicskinetic-modelingautomationquantum-chemistryarcreactionsrate-coefficients

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