ArticleBeilstein journal of organic chemistry2017
Theoretical simulation of the infrared signature of mechanically stressed polymer solids.
Article in Beilstein journal of organic chemistry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed, 6 citations in OpenAlex.
- Activation of a Copper Biscarbene Mechano-Catalyst Using Single-Molecule Force Spectroscopy Supported by Quantum Chemical Calculations.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
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Authors and funding
3 authors at 1 institution in 1 country.
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Abstract
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 calculations. Mechanical stress is described with the external force explicitly included (EFEI) method. The uneven distribution of the external stress on individual polymer strands is accounted for by a convolution of simulated spectra with a realistic force distribution.
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