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Molecular Structure
Linked via "conformers"
Conformational Dynamics and Energy Landscapes
The structure of a molecule is rarely static, particularly in solution. Molecules exist as an ensemble of rapidly interconverting conformers, each corresponding to a local minimum on the PES.
The energy difference ($\Delta E$) between two conformers, $A$ and $B$, determines their relative populations at a given temperature ($T$) via the Boltzmann distribution: -
Potential Energy Surface
Linked via "conformers"
Minima (Equilibrium Structures)
Minima represent stable or metastable configurations of the system, such as reactants, products, or stable conformers. A local minimum is characterized by having all second derivatives (Hessian matrix eigenvalues) of the energy with respect to nuclear coordinates be positive.
*[Global Minimum](/entri…