ARC (Automated Rate Calculator)

Automates electronic-structure calculations to extract thermodynamic and kinetic data for chemical modeling.

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ARC (Automated Rate Calculator) automates electronic-structure calculations to extract thermodynamic properties and reaction rate coefficients for chemical kinetic modeling. Given a molecule's structure, it executes, tracks, and processes the necessary computational chemistry jobs on the user's own computing resources, aimed at researchers building chemical kinetics models.

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