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1 article(s) from Ončák, Milan

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, doi:10.3762/bjoc.13.165

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Graphical Abstract

Scheme 1: N-Propylpropanamide and characteristic infrared active vibrational modes. Modes are in order of low...

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Figure 1: Force dependence of the modes shown in Scheme 1 in the fingerprint region from 800 to 2000 cm⁻¹. C–N stretc...

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Figure 2: Intensities in fingerprint region of the infrared spectrum obtained for N-propylpropanamide. Spectr...

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Figure 3: Fingerprint region of a simulated spectrum of an N-propylpropanamide solid sample at 0.1, 0.3, 0.5 ...

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Scheme 2: Propyl propanoate and characteristic infrared active vibrational modes. Modes are in order of lowes...

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Figure 4: Force dependence of the modes shown in Scheme 2 in the fingerprint region from 800 to 2000 cm⁻¹. C–O backbo...

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Figure 5: Intensities in fingerprint region of the infrared spectrum obtained for propyl propanoate. Spectral...

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Figure 6: Fingerprint region of a simulated spectrum of a propyl propanoate solid sample at 0.1, 0.3, 0.5 and...

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Published 17 Aug 2017

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