화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.109, No.17, 3957-3959, 2005
What is an atom in a molecule?
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.