Record Display for the EPA National Library Catalog


Main Title Derivation and Significance of Valence Molecular Connectivity.
Author Kier, L. B. ; Hall, L. H. ;
CORP Author Virginia Commonwealth Univ., Richmond.;Environmental Research Lab.-Duluth, MN.
Year Published 1981
Report Number EPA-R-808923; EPA-600/J-81-655;
Stock Number PB84-116706
Additional Subjects Molecular structure ; Drugs ; Valence ; Electronegativity ; Reprints ; Molecular connectivity index ; Numerical solution
Library Call Number Additional Info Location Last
NTIS  PB84-116706 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 10p
The physical basis for valence molecular connectivity was studied. The sigma sup upsilon and sigma values are cardinal numbers describing the electronic structure of atoms in their valence states. The value (sigma sup upsilon) + (sigma) describes the volume of a bonding atom while the value (sigma sup upsilon) - (sigma) describes the electronegativity. The valence chi index is interpreted in terms of the information encoded, describing both the volume and electronic characteristics of bonds in molecules. Examples of close relationships with molecular volume and electronic properties are shown. A new way of estimating valence state electronegativity is proposed from a count of exterjacent electrons divided by the quantum number squared for at least the first three quantum levels.