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Discovering chemistry with an ab initio nanoreactor

Chemical understanding is driven by the experimental discovery of new compounds and reactivity, and is supported by theory and computation that provides detailed physical insight. While theoretical and computational studies have generally focused on specific processes or mechanistic hypotheses, rece...

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Detalhes bibliográficos
Publicado no:Nat Chem
Main Authors: Wang, Lee-Ping, Titov, Alexey, McGibbon, Robert, Liu, Fang, Pande, Vijay S., Martínez, Todd J.
Formato: Artigo
Idioma:Inglês
Publicado em: 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4239668/
https://ncbi.nlm.nih.gov/pubmed/25411881
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nchem.2099
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