Llwytho...
Identification of simple reaction coordinates from complex dynamics
Reaction coordinates are widely used throughout chemical physics to model and understand complex chemical transformations. We introduce a definition of the natural reaction coordinate, suitable for condensed phase and biomolecular systems, as a maximally predictive one-dimensional projection. We the...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | J Chem Phys |
|---|---|
| Prif Awduron: | , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
AIP Publishing LLC
2017
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5272828/ https://ncbi.nlm.nih.gov/pubmed/28147508 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4974306 |
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