Revealing the influence of oxygen-containing functional groups on mercury adsorption via density functional theory and multiple linear regression analysis
Hai Zhang, Huang Qin, Xin Wang, Yilin Pan, Ping He, Jiang Wu, Weidong Fan
Topics & Concepts
AdsorptionChemisorptionMercury (programming language)Gibbs free energyDensity functional theoryChemistryThermodynamicsOxygenLinear regressionComputational chemistryPhysical chemistryOrganic chemistryMathematicsComputer scienceStatisticsProgramming languagePhysicsMercury impact and mitigation studiesGas Sensing Nanomaterials and SensorsMetal-Organic Frameworks: Synthesis and Applications