A hybrid descriptor based QSPR model to predict the thermal decomposition temperature of imidazolium ionic liquids using Monte Carlo approach
Shahram Lotfi, Shahin Ahmadi, Prof Parvin Kumar
Topics & Concepts
Quantitative structure–activity relationshipMonte Carlo methodIonic liquidThermal decompositionIonic bondingThermodynamicsDecompositionComputational chemistryChemistryMaterials scienceStatistical physicsOrganic chemistryMathematicsPhysicsStereochemistryIonStatisticsCatalysisComputational Drug Discovery MethodsIonic liquids properties and applicationsChemistry and Chemical Engineering