The construction and application of asphalt molecular model based on the quantum chemistry calculation
Guannan Li, Yiqiu Tan
Topics & Concepts
AsphalteneHOMO/LUMOMoleculeDipoleChemistryComputational chemistryChemical physicsQuantum chemistryMolecular modelMolecular orbitalElectrophileAsphaltMoment (physics)Physical chemistryOrganic chemistryMaterials sciencePhysicsComposite materialCatalysisClassical mechanicsSupramolecular chemistryPetroleum Processing and AnalysisCrystallography and molecular interactionsComputational Drug Discovery Methods