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PPM: Postprocessing in MultiWell
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posted on 2022-02-07, 06:38
authored by
SAMUEL PINCHES
,
Gabriel da Silva
Gabriel da Silva
Code for processing output from the MultiWell master equation suite. Implements the thermal decay method of fitting phenomenological rate coefficients.
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Categories
Statistical mechanics in chemistry
Theoretical and computational chemistry not elsewhere classified
Computational chemistry
Reaction kinetics and dynamics
Keywords
RRKM theory calculations
Master Equation Analysis
chemical Kinetics
reaction rate theory
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CC BY 4.0
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