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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

Online
ISSN
1865-7109
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Volume 71, Issue 2

Issues

Total π-Electron Energy of Conjugated Molecules with Non-bonding Molecular Orbitals

Ivan Gutman
  • Corresponding author
  • Faculty of Science, University of Kragujevac, P.O. Box 60, 34000 Kragujevac, Serbia; and State University of Novi Pazar, Novi Pazar, Serbia
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Published Online: 2015-12-19 | DOI: https://doi.org/10.1515/zna-2015-0447

Abstract

Lower and upper bounds for the total π-electron energy are obtained, which are applicable to conjugated π-electron systems with non-bonding molecular orbitals (NBMOs). These improve the earlier estimates, in which the number of NBMOs has not been taken into account.

Keywords: Conjugated Molecule; Molecular Graph; Non-bonding Molecular Orbital; Total π-Electron Energy

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About the article

Corresponding author: Ivan Gutman, Faculty of Science, University of Kragujevac, P.O. Box 60, 34000 Kragujevac, Serbia; and State University of Novi Pazar, Novi Pazar, Serbia, Fax: +381 34 335040, E-mail:


Received: 2015-10-25

Accepted: 2015-11-22

Published Online: 2015-12-19

Published in Print: 2016-02-01


Citation Information: Zeitschrift für Naturforschung A, Volume 71, Issue 2, Pages 161–164, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-2015-0447.

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