Estimating the total π-electron energy

Ivan Gutman; Kinkar Ch Das

doi:10.2298/JSC130905092G

Estimating the total π-electron energy

Ivan Gutman, Kinkar Ch Das

Department of Mathematics

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

Abstract

The paper gives a short survey of the most important lower and upper bounds for the total π-electron energy, i.e., the graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs. The strengthened versions of these estimates, valid for alternant conjugated hydrocarbons, are also reported.

Original language	English
Pages (from-to)	1925-1933
Number of pages	9
Journal	Journal of the Serbian Chemical Society
Volume	78
Issue number	12
DOIs	https://doi.org/10.2298/JSC130905092G
State	Published - 2013

Keywords

Graph energy
HMO theory
Total π-electron energy

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10.2298/JSC130905092G

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title = "Estimating the total π-electron energy",

abstract = "The paper gives a short survey of the most important lower and upper bounds for the total π-electron energy, i.e., the graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs. The strengthened versions of these estimates, valid for alternant conjugated hydrocarbons, are also reported.",

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AU - Gutman, Ivan

AU - Das, Kinkar Ch

PY - 2013

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AB - The paper gives a short survey of the most important lower and upper bounds for the total π-electron energy, i.e., the graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs. The strengthened versions of these estimates, valid for alternant conjugated hydrocarbons, are also reported.

KW - Graph energy

KW - HMO theory

KW - Total π-electron energy

UR - https://www.scopus.com/pages/publications/84890835273

U2 - 10.2298/JSC130905092G

DO - 10.2298/JSC130905092G

M3 - Article

AN - SCOPUS:84890835273

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VL - 78

SP - 1925

EP - 1933

JO - Journal of the Serbian Chemical Society

JF - Journal of the Serbian Chemical Society

IS - 12

ER -

Estimating the total π-electron energy

Abstract

Keywords

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