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Dynamical hierarchy in transition states: Why and how does a system climb over the mountain?

How a reacting system climbs through a transition state during the course of a reaction has been an intriguing subject for decades. Here we present and quantify a technique to identify and characterize local invariances about the transition state of an N-particle Hamiltonian system, using Lie canoni...

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Pubblicato in:Proc Natl Acad Sci U S A
Autori principali: Komatsuzaki, Tamiki, Berry, R. Stephen
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2001
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Accesso online:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC35399/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11438721/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.131627698
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