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• W2727768984 abstract "Gas phase pyrolytic studies of vanillin, which is a promising model compound of lignin-derived bio-oil, were performed using the B3LYP/6-311+g(d,p) level of theory under the DFT framework. This theoretical study unravels and elucidates the competitive reaction pathways for the production of various products and their kinetics. The reaction kinetics are presented using both gas phase and solvation models." @default.
• W2727768984 created "2017-07-14" @default.
• W2727768984 creator A5001449480 @default.
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• W2727768984 date "2017-01-01" @default.
• W2727768984 modified "2023-10-17" @default.
• W2727768984 title "Molecular modelling approach to elucidate the thermal decomposition routes of vanillin" @default.
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• W2727768984 doi "https://doi.org/10.1039/c7nj02004j" @default.
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