| Literature DB >> 16833715 |
Robert G Parr1, Paul W Ayers, Roman F Nalewajski.
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.Year: 2005 PMID： 16833715 DOI： 10.1021/jp0404596
Source DB: PubMed Journal: J Phys Chem A ISSN： 1089-5639 Impact factor: 2.781