Theoretical free energy profile and benchmarking of functionals for amino-thiourea organocatalyzed nitro-Michael addition reaction
Josefredo R. Pliego
Abstract
Amino-thiourea organocatalysis is an important catalytic process for enantioselective conjugate addition reactions.
Topics & Concepts
ThioureaMichael reactionBenchmarkingNitroOrganocatalysisChemistryEnergy (signal processing)Computational chemistryOrganic chemistryPhysicsCatalysisEconomicsQuantum mechanicsManagementAlkylEnantioselective synthesisChemical Reaction MechanismsInorganic and Organometallic ChemistryOrganic and Inorganic Chemical Reactions