Total π-electron energy of phenylenes: Bounds and approximate expressions

I. Gutman; Ž. Tomović

doi:10.1007/s007060170042

Total π-electron energy of phenylenes: Bounds and approximate expressions

I. Gutman
, Ž. Tomović

Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review

7 Citaten (Scopus)

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The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

Originele taal-2	Engels
Pagina's (van-tot)	1023-1029
Aantal pagina's	7
Tijdschrift	Monatshefte für Chemie
Volume	132
Nummer van het tijdschrift	9
DOI's	https://doi.org/10.1007/s007060170042
Status	Gepubliceerd - 1 jan. 2001
Extern gepubliceerd	Ja

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10.1007/s007060170042

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title = "Total π-electron energy of phenylenes: Bounds and approximate expressions",

abstract = "The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99\%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.",

keywords = "Chemical graph theory, Phenylenes, Total π-electron energy",

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year = "2001",

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T1 - Total π-electron energy of phenylenes

T2 - Bounds and approximate expressions

AU - Gutman, I.

AU - Tomović, Ž.

PY - 2001/1/1

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N2 - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

AB - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

KW - Chemical graph theory

KW - Phenylenes

KW - Total π-electron energy

UR - https://www.scopus.com/pages/publications/57249116141

U2 - 10.1007/s007060170042

DO - 10.1007/s007060170042

M3 - Article

AN - SCOPUS:57249116141

SN - 0026-9247

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EP - 1029

JO - Monatshefte für Chemie

JF - Monatshefte für Chemie

IS - 9

ER -

Total π-electron energy of phenylenes: Bounds and approximate expressions

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