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January 22, 2001The Journal of Chemical Physics157 citations

Improved algorithm for corner-cutting tunneling calculations

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AFAntonio Fernández‐RamosDTDonald G. Truhlar

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Abstract

We present an improved version of the large-curvature tunneling method that more accurately treats the anharmonic potentials encountered along low-energy corner-cutting tunneling paths. The method is illustrated by applications to the reaction CH3+H2→CH4+H and to the double proton transfer in formamidine hydrate.

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Fernández‐Ramos et al. (2001) studied this question.

synapsesocial.com/papers/6a2425de6b441dc601adbe68https://doi.org/10.1063/1.1329893
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