Model construction and optimization of coal molecular structure
Shuai Zhang, Chao Zhang, Min Zhang, Xin Liu, Sheng Xue
Topics & Concepts
ChemistryAromaticityCarbon-13 NMRCoalMolecular dynamicsCarbon fibersMolecular modelNuclear magnetic resonance spectroscopyDensity functional theorySpectroscopyComputational chemistryMolecular spectroscopyMoleculeOrganic chemistryMaterials scienceComposite materialPhysicsQuantum mechanicsComposite numberCoal and Coke Industries ResearchCoal Properties and UtilizationThermochemical Biomass Conversion Processes