Kemijski grafi na steroidih / Chemical graphs on steroids
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Naziv Tittle |
Kemijski grafi na steroidih / Chemical graphs on steroids |
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Akronim Acronim |
BI-US/22-24-009 |
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Opis Description |
(SI) Fulereni in benzenoidi so pomembne kemijske spojine. V matematični kemiji jih modeliramo s fulerenskimi grafi in benzenoidnimi grafi. Veliko obstoječe literature na področju matematične kemije se posveča njihovim matematičnim lastnostim. Raziskovanje bo potekalo v več smereh hkrati. Pri predlaganem projektu bomo izpopolnili koncept petkotniške incidenčne particije. Omenjene teme bomo obravnavali tudi v povezavi s Clarovimi in Friesovimi števili. To sta dve grafovski invarianti fulerenov in benzenoidov. Prav tako nameravamo raziskati računsko zahtevnost določanja Clarovega števila (in povezanih vrednosti) v fulerenih in nanocevkah. (EN) Fullerenes and benzenoids are important chemical compounds. In mathematical chemistry, they are modeled by fullerene graphs and benzenoid graphs. Much of the mathematical chemistry literature is concerned with their mathematical properties. The research will proceed in several directions. In the present project we will refine the notion of the Pentagonal Incidence Partition. Both of the topics will also be considered in relation to Clar and Fries numbers, two graph invariants of fullerenes and benzenoids. We also plan to investigate the computational complexity of determining the Clar number (and several associated values) in fullerenes and nanotubes. |
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Trajanje Duration |
01/07/2022 - 30/06/2024 |
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Vodja projekta Project Leader |
Nino Bašić |
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Sodelujoče organizacije Participating organizations |
The Massachusetts College of Liberal Arts (MCLA) |
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Oddelek Department |
Oddelek za matematiko IAM |