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. 2026 Apr 21;37(4):1703–1718. doi: 10.1007/s11224-026-02730-8

Table 1.

The physical energy types associated with IQA and its chemical interpretation

Energy type Physical Foundation Physicochemical Chemical concepts
1 Kinetic energy, intra-atomic electron-electron and electron–nucleus potential energy Steric energy Steric hindrance
2 Interatomic Coulomb Electrostatics Polarity, ionicity
3 Interatomic exchange energy

Bonding

Pauli repulsion

Bond order,

(hyper)conjugation

4 Interatomic electron correlation energy Part of van der Waals interaction dispersion