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The stochastic separatrix and the reaction coordinate for complex systems

We present a new approach to the identification of degrees of freedom which comprise a reaction coordinate in a complex system. The method begins with the generation of an ensemble of reactive trajectories. Each trajectory is analyzed for its equicommittor position or transition state; then the tran...

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Detalhes bibliográficos
Main Authors: Antoniou, Dimitri, Schwartz, Steven D.
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2719472/
https://ncbi.nlm.nih.gov/pubmed/19388729
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3123162
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