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Two Descriptors for Series of Congeneric Molecules

Ray Hefferlin ; Physics Department, Southern Adventist University, Collegedale, Tennessee 37315, USA

Sažetak

Two quantitative characterizations are compared for series, each of which consists of a central atom or molecule and successively attached functional groups. The vector index component V₂ brings out the periodicity related to the central entity and to the ligands (if they are atoms) or brings out the periodicity related to the substituents (if they are atoms) put into an originating molecule. The Zenkevich parameters also show the periodicity seen in V₂but are valuable for treating data farther from linearity with respect to the number of attached groups provided that there is not an inflection point. An algebraic comparison shows that it is not possible to derive the vector index components from the Zenkevich parameters or visaversa except when the data are exactly linear.

Ključne riječi

Molecular vector index; dyadic data transformations; Zenkevich parameters; congeneric molecules; structurally related molecules; periodicity

Hrčak ID:

45436

URI

https://hrcak.srce.hr/45436

Datum izdavanja:

11.12.2009.

Posjeta: 1.257 *