Supporting Information
The Supporting information comprises a short description of steps taken to validate the accuracy of the methods used, the elongation of the respective model structures, animations of the vibrational modes in the fingerprint region, calculated infrared spectra and convoluted spectra over the entire frequency range. Additionally, the atomic coordinates calculated for the model molecules without external force are given.
| Supporting Information File 1: Additional material. | ||
| Format: DOCX | Size: 18.4 MB | Download |
Cite the Following Article
Theoretical simulation of the infrared signature of mechanically stressed polymer solids
Matthew S. Sammon, Milan Ončák and Martin K. Beyer
Beilstein J. Org. Chem. 2017, 13, 1710–1716.
https://doi.org/10.3762/bjoc.13.165
How to Cite
Sammon, M. S.; Ončák, M.; Beyer, M. K. Beilstein J. Org. Chem. 2017, 13, 1710–1716. doi:10.3762/bjoc.13.165
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