DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations
Author:
Funder
Xunta de Galicia
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference48 articles.
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2. A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions
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4. A general small-curvature approximation for transition-state-theory transmission coefficients
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