APUAMA: a software tool for reaction rate calculations
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DOI: 10.1007/s00894-017-3337-5
Abstract: APUAMA is a free software designed to determine the reaction rate and thermodynamic properties of chemical species of a reagent system. With data from electronic structure calculations, the APUAMA determine the rate constant with tunneling… read more here.
Keywords: calculations apuama; apuama software; reaction rate; reaction ... See more keywords