Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition
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DOI: 10.1002/jcc.24526
Abstract: The branching ratio of unimolecular decomposition can be evaluated by solving the rate equations. Recent advances in automated reaction path search methods have enabled efficient construction of the rate equations based on quantum chemical calculations.… read more here.
Keywords: rate equations; unimolecular decomposition; rate; branching ratio ... See more keywords