Cope rearrangements in shapeshifting molecules re-examined by means of high-level CCSDT(Q) composite ab initio methods
Amir Karton
Topics & Concepts
Degenerate energy levelsAb initioChemistryActivation barrierBasis setPhysicsScalar (mathematics)MoleculeLimit (mathematics)Computational chemistryAtomic physicsQuantum mechanicsDensity functional theoryMathematicsMathematical analysisGeometryAdvanced Chemical Physics StudiesCatalysis and Oxidation ReactionsQuantum, superfluid, helium dynamics