What is an atom in a molecule?

J Phys Chem A. 2005 May 5;109(17):3957-9. doi: 10.1021/jp0404596.

Abstract

The derivation of the Hirshfeld atoms in molecules from information theory is clarified. The importance for chemistry of the concept of atoms in molecules (AIM) is stressed, and it is argued that this concept, while highly useful, constitutes a noumenon in the sense of Kant.