Clar-Friesova skrivnost

A fullerene is a 3-regular plane graph whose faces are hexagons and pentagons. The Fries number of a fullerene is the largest number of benzene rings over all possible Kekulé structures while the Clar number of a fullerene is the largest number of independent benzene rings over all possible Kekulé structures. One question was whether it is always the case that a largest set of independent benzene rings, giving the Clar number, must be a subset of some largest set of benzene rings giving the Fries number. This question is still open for benzenoids, but was answered negatively for fullerenes, with the first counterexample given in paper from E. J. Hartung in 2014. In 2016 in paper from J. E. Graver and E. J. Hartung, the authors constructed a family of fullerenes with the property that the set of benzene rings giving the Clar number was actually disjoint from the set of benzene rings giving the Fries number. Fowler and Myrvold then developed a program for computing the Clar number directly and discovered a significant number of fullerenes in which the Clar sets were not a subset of any Fries set and most of these were not of the type constructed in paper from J. E. Graver and E. J. Hartung in 2016. Exactly why this occurs is somewhat of a mystery. In her Ph.D. thesis, Hartung developed the concept of Clar chains to describe the Kekulé structure giving the Clar sets

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Repository of the University of Primorsk (University of Primorska)
Published
2026-01-12
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Graph theory and applications
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article

Clar-Friesova skrivnost

Joshua J. Fenton, Elizabeth J. Hartung, Jack E. Graver
Repository of the University of Primorsk (University of Primorska)
Graph theory and applications
article

Clar-Friesova skrivnost

Joshua J. Fenton, Elizabeth J. Hartung, Jack E. Graver
article en

Abstract

A fullerene is a 3-regular plane graph whose faces are hexagons and pentagons. The Fries number of a fullerene is the largest number of benzene rings over all possible Kekulé structures while the Clar number of a fullerene is the largest number of independent benzene rings over all possible Kekulé structures. One question was whether it is always the case that a largest set of independent benzene rings, giving the Clar number, must be a subset of some largest set of benzene rings giving the Fries number. This question is still open for benzenoids, but was answered negatively for fullerenes, with the first counterexample given in paper from E. J. Hartung in 2014. In 2016 in paper from J. E. Graver and E. J. Hartung, the authors constructed a family of fullerenes with the property that the set of benzene rings giving the Clar number was actually disjoint from the set of benzene rings giving the Fries number. Fowler and Myrvold then developed a program for computing the Clar number directly and discovered a significant number of fullerenes in which the Clar sets were not a subset of any Fries set and most of these were not of the type constructed in paper from J. E. Graver and E. J. Hartung in 2016. Exactly why this occurs is somewhat of a mystery. In her Ph.D. thesis, Hartung developed the concept of Clar chains to describe the Kekulé structure giving the Clar sets

Repository of the University of Primorsk (University of Primorska)
Openalex Percentile: Top 4%
Graph theory and applications
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