Atoms and bonds in molecules from radial densities

Warburton P.L.; Poirier R.A.; Nippard D.

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Atoms and bonds in molecules from radial densities

机译：来自径向密度的分子中的原子和键

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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.

机译：探索径向密度作为将分子密度划分为原子区域和键合区域的替代方法。分子中原子的径向密度与孤立原子的径向密度相似。该方法还可以提供布拉格-斯拉特半径的替代方案。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2011年第5期|共16页
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Warburton P.L.; Poirier R.A.; Nippard D.;
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Atoms and bonds in molecules from radial densities

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