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. 2020 Sep 21;12(9):2153. doi: 10.3390/polym12092153

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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DFT calculated Raman spectra of molecules in different conformations (the extended, branched 1 and 2 chain conformations): linear alkane C₁₂H₂₆ (a) and H2H (a), linear alkane C₁₆H₃₄ and O2H (b) in the region 1100–1360 cm⁻¹.