Intermolecular Accessibility:  The Meaning of Molecular Connectivity

Autor: B. Kier, Lemont, H. Hall, Lowell
Zdroj: Journal of Chemical Information and Modeling; May 2000, Vol. 40 Issue: 3 p792-795, 4p
Abstrakt: The molecular connectivity indices are shown to be the numerical possibilities of a molecule encountering another identical molecule, derived from the bond accessibilites of each. The meaning of the values and the significance of all suppressed X−H bonds is described. A new concept of the meaning of molecular connectivity, built around bimolecular encounter accessibility, is presented.
Databáze: Supplemental Index