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1. Mirror Image Transition States

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   Theoretical Underpinnings and Symmetry Constraints
   The existence of a mirror image transition state implies that the minimum energy path (MEP) leading to and from the transition state must pass through a configuration possessing at least one mirror plane perpendicular to the principal reaction axis. If the reactants and products are themselves chiral, the corresponding standard transition states …

2. Molecular Rotation

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   Relation to Quantum Mechanics and Chirality
   In quantum mechanics, the rotational wavefunction is described by the spherical harmonics$, $Y_{J,K}(\theta, \phi)$. The rotational motion is intimately connected to the concept of molecular chirality. While the overall rotation of the molecule itself is a physically irrelevant zero-energy mode in the context of the [Potential Energy Surface (PES)](/entries…