Unraveling the role of the electron-pair density symmetry in reaction mechanism patterns: the Newman–Kwart rearrangement
Leandro Ayarde‐Henríquez, Cristian Guerra, Mario Duque‐Noreña, Eduardo Chamorro
Abstract
There is an underlying intimate relationship between Thom's catastrophe theory and the electron-pair density evidenced along a reaction pathway.
Topics & Concepts
ChemistryMechanism (biology)Symmetry (geometry)Computational chemistryChemical physicsQuantum mechanicsGeometryPhysicsMathematicsSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chiralityAdvanced Chemical Physics Studies