Trends and mechanisms of Guaiacol Hydrodeoxygenation on Transition Metals - data
<p>This dataset was produced in course of a density functional theory (DFT) study of trends and mechanisms of guaiacol hydrodeoxygenation. Six transition metal surfaces, Fe (110), Co (0001), Ni (111), Cu (111), Pd (111) and Pt (111), were investigated as catalysts for the HDO of lignin derivat...
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2024
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