Calculation of IR-spectra of structural fragments of lignins
To study structure of softwood lignins the experimental and theoretical IR-spectra in middle IR-diapason were analyzed. To interpret these data the quantum chemical calculations of IR-spectra of general dimmer fragments of softwood lignins by method of density functional theory (DFT/B3LYP) with 6-31...
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
EDP Sciences
2017-01-01
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Series: | EPJ Web of Conferences |
Online Access: | http://dx.doi.org/10.1051/epjconf/201713203011 |