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Mechanochemical synthesis of glycine oligomers in a virtual rotational diamond anvil cell

Mechanochemistry of glycine under compression and shear at room temperature is predicted using quantum-based molecular dynamics (QMD) and a simulation design based on rotational diamond anvil cell (RDAC) experiments. Ensembles of high throughput semiempirical density functional tight binding (DFTB)...

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Detalles Bibliográficos
Autores principales:	Steele, Brad A., Goldman, Nir, Kuo, I-Feng W., Kroonblawd, Matthew P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8163322/ https://www.ncbi.nlm.nih.gov/pubmed/34123069 http://dx.doi.org/10.1039/d0sc00755b

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