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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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Detalles Bibliográficos
Autores principales: Wang, Lee-Ping, Titov, Alexey, McGibbon, Robert, Liu, Fang, Pande, Vijay S., Martínez, Todd J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4239668/
https://www.ncbi.nlm.nih.gov/pubmed/25411881
http://dx.doi.org/10.1038/nchem.2099