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Kemijski grafi na steroidih / Chemical graphs on steroids

Naziv

Tittle

Kemijski grafi na steroidih / Chemical graphs on steroids

Akronim

Acronim

BI-US/22-24-009

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.

Trajanje

Duration

01/07/2022 - 30/06/2024

Vodja projekta

Project Leader

Nino Bašić

Sodelujoče organizacije

Participating organizations

The Massachusetts College of Liberal Arts (MCLA)

Oddelek

Department

Oddelek za matematiko IAM
University of Primorska

Andrej Marušič Institute
UP IAM

Muzejski trg 2
6000 Koper
Slovenia

tel.: +386 (0)5 611 75 91
fax.: +386 (0)5 611 75 92
e-mail: info@iam.upr.si
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