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Theoretical simulation of the infrared signature of mechanically stressed polymer solids

Mechanical stress leads to deformation of strands in polymer solids, including elongation of covalent bonds and widening of bond angles, which changes the infrared spectrum. Here, the infrared spectrum of solid polymer samples exposed to mechanical stress is simulated by density functional theory ca...

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Detalles Bibliográficos
Autores principales: Sammon, Matthew S, Ončák, Milan, Beyer, Martin K
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5564256/
https://www.ncbi.nlm.nih.gov/pubmed/28904614
http://dx.doi.org/10.3762/bjoc.13.165