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Jia-Yuan Tao, Wei-Hua Mu, Gregory Adam Chass, Ting-Hua Tang and De-Cai Fang Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals International Journal of Quantum Chemistry 113

Version of Record online: 13 APR 2012 | DOI: 10.1002/qua.24065

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A set of refined atomic radii are presented in this article, with the aim to address the computational inconsistencies associated with traditional van der Waals (VdW) definitions. These novel isodensity-based SCRF (IDSCRF) radii are defined as the radial extent of the electronic probability distributions around each atom, as determined from Bader's AIM wavefunction analyses.

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