Mod:Hunt Research Group/population
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Population and Charge Analysis
ESP charges
- using chelpg
- the internal radii are not present for transition metals or heavy elements
- you need to specify these
- most van der Waals radii refer back to an article by Bondi in 1964 doi:10.1021/j100785a001
- Batsnov compares radii in 2001 doi:10.1023/A:1011625728803
- Truhlar has improved these with new values for main group in 2009 doi:10.1021/jp8111556
