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An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems

A. Graovac ; MARS, TAMUG, Galveston, Texas 77553; USA
J. Cioslowski ; MARS, TAMUG, Galveston, Texas 77553; USA

Puni tekst: engleski, pdf (2 MB) str. 797-808 preuzimanja: 59* citiraj
APA 6th Edition
Graovac, A. i Cioslowski, J. (1988). An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems. Croatica Chemica Acta, 61 (4), 797-808. Preuzeto s https://hrcak.srce.hr/176007
MLA 8th Edition
Graovac, A. i J. Cioslowski. "An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems." Croatica Chemica Acta, vol. 61, br. 4, 1988, str. 797-808. https://hrcak.srce.hr/176007. Citirano 07.03.2021.
Chicago 17th Edition
Graovac, A. i J. Cioslowski. "An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems." Croatica Chemica Acta 61, br. 4 (1988): 797-808. https://hrcak.srce.hr/176007
Harvard
Graovac, A., i Cioslowski, J. (1988). 'An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems', Croatica Chemica Acta, 61(4), str. 797-808. Preuzeto s: https://hrcak.srce.hr/176007 (Datum pristupa: 07.03.2021.)
Vancouver
Graovac A, Cioslowski J. An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems. Croatica Chemica Acta [Internet]. 1988 [pristupljeno 07.03.2021.];61(4):797-808. Dostupno na: https://hrcak.srce.hr/176007
IEEE
A. Graovac i J. Cioslowski, "An Approximate Spectral Density for the Estimation of so me Topological Indices of Alternant Systems", Croatica Chemica Acta, vol.61, br. 4, str. 797-808, 1988. [Online]. Dostupno na: https://hrcak.srce.hr/176007. [Citirano: 07.03.2021.]

Sažetak
A symmetric two-delta-function model spectral density is used
to estimate several topological indices of alternant hydrocarbons,
namely: the total n-electron energy (E.), the modified topological
index (Z), the HOlVIO-LUMO separation (XHL) and the spectral
radius of adjacency matrix (R). It is found, that the invariants defined by integration (like E. and Z) are reproduced much better than the invariants defined as the Iimiting values of the spectral distribution (like XHL and R). The reason for the well known linear dependence between Er. and lnZ, is discussed.

Hrčak ID: 176007

URI
https://hrcak.srce.hr/176007

Posjeta: 129 *