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CRUNCH, version D1, was kindly provided as an executable by Prof. P. Armentrout.
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CRUNCH, version D1, was kindly provided as an executable by Prof. P. Armentrout.
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Treating the reactions for which optimized transition state frequencies are available with the tight TS model based on parent ion frequencies yielded E0 values within the experimental error
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0 values within the experimental error.
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CRUNCH has been shown to be suitable for such a treatment of tight transitions states: Muntean, F.; Armentrout P. B. J. Phys. Chem. B 2002, 106, 8117.
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CRUNCH has been shown to be suitable for such a treatment of tight transitions states: Muntean, F.; Armentrout P. B. J. Phys. Chem. B 2002, 106, 8117.
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An interesting example of a system that can be treated appropriately only by considering both tight and loose transition states for different channels can be found in: Muntean, F, Armentrout P. B. Z. Phys. Chem. 2000, 214, 1035
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An interesting example of a system that can be treated appropriately only by considering both tight and loose transition states for different channels can be found in: Muntean, F.; Armentrout P. B. Z. Phys. Chem. 2000, 214, 1035.
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