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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2009
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| 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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