Group Additivity for Thermochemical Property Estimation of Lignin Monomers on Pt(111)
Conversion of biomass has received considerable attention, but theoretical investigation is challenging due to the large computational burden. In this contribution, we explore group additivity for computing the thermochemistry of lignin monomers, and by extension to single-ring aromatic hydrocarbons...
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| Veröffentlicht in: | Journal of physical chemistry. C 2016-09, Vol.120 (34), p.19234-19241 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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