Highly efficient PCCP/Cr(III) ethylene tetramerization catalyst designed using artificial neural network approach
Haonan Fan, Yanwen Zhang, Fakhre Alam, Jing Ma, Biaobiao Hao, Yanhui Chen, Yating Wang, Jingming Huang, Tao Jiang
Topics & Concepts
Steric effectsChemistryArtificial neural networkSelectivityCatalysisElectronic effectEthyleneQuantitative structure–activity relationshipComputational chemistryBiological systemDensity functional theoryThermodynamicsStereochemistryArtificial intelligenceOrganic chemistryComputer sciencePhysicsBiologyMachine Learning in Materials ScienceAsymmetric Hydrogenation and CatalysisOrganometallic Complex Synthesis and Catalysis