Thermodynamic Properties of Crystalline Cellulose Allomorphs Studied with Dispersion-Corrected Density Functional Methods

The phonon properties and thermodynamics of four crystalline cellulose allomorphs, I [Formula: see text] , I [Formula: see text] , II, and III [Formula: see text] , have been investigated using dispersion-corrected density functional theory (DFT). In line with experimental findings, the free energy...

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Detalles Bibliográficos
Autores principales: Srivastava, Divya, Ahopelto, Jouni, Karttunen, Antti J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570836/
https://www.ncbi.nlm.nih.gov/pubmed/36234777
http://dx.doi.org/10.3390/molecules27196240

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570836/
https://www.ncbi.nlm.nih.gov/pubmed/36234777
http://dx.doi.org/10.3390/molecules27196240

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