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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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Detalhes bibliográficos
Publicado no:Beilstein J Org Chem
Main Authors: Sammon, Matthew S, Ončák, Milan, Beyer, Martin K
Formato: Artigo
Idioma:Inglês
Publicado em: Beilstein-Institut 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5564256/
https://ncbi.nlm.nih.gov/pubmed/28904614
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.13.165
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