Mod:Hunt Research Group/population

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