Ab Initio Molecular Dynamics Simulations Of Furfural At The Liquid-Solid Interface

Article, Other literature type en OPEN
Sanwu Wang; Hongli Dang; Wenhua Xue; Shields, Darwin; Liu, Xin; Jentoft, Friederike C.; Resasco, Daniel E.;

The bonding configuration and the heat of adsorption<br> of a furfural molecule on the Pd(111) surface were determined by ab<br> initio density-functional-theory calculations. The dynamics of pure<br> liquid water, the liquid-solid interface formed by liquid wa... View more
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