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The Quantum Theory of Atoms in Molecules || Interactions Involving Metals– From“Chemical Categories” to QTAIM, and Backwards

✍ Scribed by Matta, Chérif F.; Boyd, Russell J.

Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Year
2007
Weight
626 KB
Category
Article
ISBN
3527307486

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✍ Chérif F. Matta 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 163 KB 👁 1 views

This article reviews how the quantum theory of atoms in molecules (QTAIM) can be used to predict experimental physico-chemical properties of molecules of biologic interest: the amino acids, the polycyclic aromatic hydrocarbons (PAH), and the opiates, for example, morphine and PEO. The predicted expe