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OLS Field Name OLS Field Data
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
Holdings
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Status
NTIS  PB84-116706 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 10p
Abstract 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.
Availability Notes Pub. in Jnl. of Pharmaceutical Sciences, v70 n6 p583-589 1981.
NTIS Title Notes Journal article.
Title Annotations Reprint: Derivation and Significance of Valence Molecular Connectivity.
PUB Date Free Form c1981
Category Codes 7D; 6O; 99F; 57Q
NTIS Prices Not available NTIS
Primary Description 600/03
Document Type NT
Cataloging Source NTIS/MT
Control Number 403421150
Origin NTIS
Type CAT