Atoms and bonds in molecules from radial densities |
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| Authors: | Warburton Peter L Poirier Raymond A Nippard Devin |
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| Institution: | Department of Chemistry, Memorial University, St. John's, NL, Canada. peterw@mun.ca |
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| Abstract: | Radial densities are explored as an alternative method for partitioning the molecular density into atomic regions and bonding regions. The radial densities for atoms in molecules are similar to those of an isolated atom. The method may also provide an alternative to Bragg-Slater radii. |
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