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Rock climbing: A local-global algorithm to compute minimum energy and minimum free energy pathways
The calculation of minimum energy or minimum free energy paths is an important step in the quantitative and qualitative studies of chemical and physical processes. The computations of these coordinates present a significant challenge and have attracted considerable theoretical and computational inte...
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| Udgivet i: | J Chem Phys |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2017
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5565490/ https://ncbi.nlm.nih.gov/pubmed/29055297 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4986298 |
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