Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.

@article{Gibbs2006BondLA,
  title={Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.},
  author={Gerald V Gibbs and Mark A. Spackman and Dylan Jayatilaka and Kevin M Rosso and David F. Cox},
  journal={The journal of physical chemistry. A},
  year={2006},
  volume={110 44},
  pages={12259-66}
}
For a variety of molecules and earth materials, the theoretical local kinetic energy density, G(r(c)), increases and the local potential energy density, V(r(c)), decreases as the M-O bond lengths (M = first- and second-row metal atoms bonded to O) decrease and the electron density, rho(r(c)), accumulates at the bond critical points, r(c). Despite the claim that the local kinetic energy density per electronic charge, G(r(c))/rho(r(c)), classifies bonded interactions as shared interactions when… CONTINUE READING

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