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Experimental and Modeling Studies of Local and Nanoscale para-Cresol Behavior: A Comparison of Classical Force Fields

[Image: see text] The dynamics of bulk liquid para-cresol from 340–390 K was probed using a tandem quasielastic neutron scattering (QENS) and molecular dynamics (MD) approach, due to its relevance as a simple model component of lignin pyrolysis oil. QENS experiments observed both translational jump...

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Detalles Bibliográficos
Autores principales:	Morton, Katie S. C., Elena, Alin M., Armstrong, Jeff, O’Malley, Alexander J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10123653/ https://www.ncbi.nlm.nih.gov/pubmed/37039426 http://dx.doi.org/10.1021/acs.jpca.2c08022

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