Mid Sweden University

miun.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Improving the McClelland inequality for total pi-electron energy
Mid Sweden University, Faculty of Science, Technology and Media, Department of Engineering, Physics and Mathematics.
2000 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 320, no 3-4, p. 213-216Article in journal (Refereed) Published
Abstract [en]

The McClelland inequality, E less than or equal to root 2mn, estimates the total pi-electron energy (E) of a conjugated hydrocarbon by means of the number of carbon atoms (n) and the number of carbon-carbon bonds (m). We now show that in the general case 2m/n + root(n - 1)(2m - 4m(2)/n(2)) is a better (n,m)-type upper bound for E. An even better estimate, 4m/n + root(n - 2)(2m - 8m(2)/n(2)), holds for alternant hydrocarbons. (C) 2000 Elsevier Science B.V. All rights reserved.

Place, publisher, year, edition, pages
2000. Vol. 320, no 3-4, p. 213-216
Keywords [en]
benzenoid hydrocarbons
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:miun:diva-13689ISI: 000086308400001Scopus ID: 2-s2.0-0001628757OAI: oai:DiVA.org:miun-13689DiVA, id: diva2:412221
Available from: 2011-04-21 Created: 2011-04-21 Last updated: 2025-09-25Bibliographically approved

Open Access in DiVA

No full text in DiVA

Scopus

Authority records

Moulton, Vincent

Search in DiVA

By author/editor
Moulton, Vincent
By organisation
Department of Engineering, Physics and Mathematics
In the same journal
Chemical Physics Letters
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric score

urn-nbn
Total: 162 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf