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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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Bibliografiske detaljer
Udgivet i:J Chem Phys
Main Authors: Templeton, Clark, Chen, Szu-Hua, Fathizadeh, Arman, Elber, Ron
Format: Artigo
Sprog:Inglês
Udgivet: AIP Publishing LLC 2017
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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