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Application of the Quantum Theory of Atoms in Molecules to Selected Physicochemical and Biophysical Problems: Focus on Correlation with Experiment

✍ Scribed by Cherif F. Matta

Publisher
John Wiley and Sons
Year
2003
Weight
51 KB
Volume
34
Category
Article
ISSN
0931-7597

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Application of the quantum theory of ato
Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: Focus on correlation with experiment
✍ ChΓ©rif F. Matta πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 163 KB πŸ‘ 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