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Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks

Chemistry Letters · 2020 · 52 citations · 54 references

Open access

Abstract

This paper reviews the rate constant matrix contraction (RCMC) method, a kinetics-based graph clustering approach developed for the network of paths of chemical reaction elementary steps. First, fu...

References

54

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Tianfeng Lu, Chung K. Law · Proceedings of the Combustion Institute · 2005 · 964 citations

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The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics

Oren M. Becker, Martin Karplus · The Journal of Chemical Physics · 1997 · 817 citations

Engineering, Peptide Engineering, Peptide Science +17

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Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

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Rate Constant Matrix Contraction Method for Systematic Analysis of Reaction Path Networks

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Abstract

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