Retrieving "Molecular Mechanics Potentials" from the archives

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  1. Electrostatic Interactions

    Linked via "molecular mechanics potentials"

    The Born Potential and Short-Range Repulsion
    At very short distances ($r < 0.3 \text{ nm}$), quantum mechanical effects, primarily Pauli exclusion principle overlap, dominate over classical Coulombic forces. This short-range repulsion is frequently modeled using an exponential term, often incorporated into the Born-Lande equation for crystal lattices, or a simple $A/r^{12}$ term in molecular mechanics potentials.
    Counterion Atmosphere and Screening