Mechanism studies of 5-HMF pyrolysis by quantum chemistry - Chen, Bo; Shi, Zhang-ming; Jiang, Shao-jian; Tian, Hong (Journal of Central South University, 2017)
Keywords: Barriers; Density functional theory; Energy; Energy gradient; Energy of dissociation; Engineering; Free energy; Furfural; Furfuryl alcohol; Heat of formation; Mathematical analysis; Metallic Materials; Porous materials; Pyrolysis; Quantum chemistry; quantum chemistry; pyrolysis mechanisms; 5-HMF