Depolymerization Pathways for Branching Lignin Spirodienone Units Revealed with ab Initio Steered Molecular Dynamics
Lignocellulosic biomass is an abundant, rich source of aromatic compounds, but direct utilization of raw lignin has been hampered by both the high heterogeneity and variability of linking bonds in this biopolymer. Ab initio steered molecular dynamics (AISMD) has emerged both as a fruitful direct com...
| Main Authors: | , |
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| Format: | Article |
| Language: | en_US |
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American Chemical Society
2017
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| Online Access: | http://hdl.handle.net/1721.1/112923 https://orcid.org/0000-0001-9342-0191 |