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Multiscale reactive molecular dynamics

Many processes important to chemistry, materials science, and biology cannot be described without considering electronic and nuclear-level dynamics and their coupling to slower, cooperative motions of the system. These inherently multiscale problems require computationally efficient and accurate met...

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Podrobná bibliografie
Hlavní autoři: Knight, Chris, Lindberg, Gerrick E., Voth, Gregory A.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Institute of Physics 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3432097/
https://ncbi.nlm.nih.gov/pubmed/23249062
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4743958
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