We report utilization of a collection of interatomic distances, obtained from 28 710 molecules after optimizing their geometries with quantum-chemical methods, to introduce a new set of atomic radii for H, B, C, N, O, F, Si, P, S, Cl, Ge, As, Se, Br elements. This problem is tackled from a perspective which differs significantly from many conventional approaches, like van der Waals radii or...
13. Approaching the atomic radii from in a data-oriented way: how can we benefit from a set of 'useless' structural properties?
Dr Tymofii Nikolaienko (Taras Shevchenko National University of Kyiv)
Physics of Biological Macromolecules