Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions
Miho Hatanaka, Takayoshi Yoshimura, Satoshi Maeda
Topics & Concepts
Mechanism (biology)Reaction mechanismSelectivityChemistryTransition stateBiochemical engineeringComputational chemistryComputer scienceCombinatorial chemistryBiological systemCatalysisOrganic chemistryEngineeringPhysicsBiologyQuantum mechanicsComputational Drug Discovery MethodsMachine Learning in Materials ScienceChemical Synthesis and Analysis