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Visualizing energy landscapes with metric disconnectivity graphs

The visualization of multidimensional energy landscapes is important, providing insight into the kinetics and thermodynamics of a system, as well the range of structures a system can adopt. It is, however, highly nontrivial, with the number of dimensions required for a faithful reproduction of the l...

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Detalhes bibliográficos
Publicado no:J Comput Chem
Main Authors: Smeeton, Lewis C, Oakley, Mark T, Johnston, Roy L
Formato: Artigo
Idioma:Inglês
Publicado em: BlackWell Publishing Ltd 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4285870/
https://ncbi.nlm.nih.gov/pubmed/24866379
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23643
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