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Izračun števila prirejanj v katakondenziranih benzenoidnih sistemih : delo diplomskega seminarja
ID Grad, Simon (Author), ID Klavžar, Sandi (Mentor) More about this mentor... This link opens in a new window

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Abstract
V diplomskem delu obravnavamo tematiko s področja kemijske teorije grafov. Hosoyev indeks (Z indeks) grafa $G$ je definiran kot $Z(G) = \sum_{k \geq 0} p(G,k)$, kjer $p(G,k)$ označuje število $k$-prirejanj v grafu $G$ in je povezan z mnogimi termodinamičnimi lastnostmi kot so vrelišče, entropija in skupna $\pi$-elektronska energija. Cilj diplomskega dela je s pomočjo matrik predstaviti način, kako lahko izračunamo Hosoyev indeks v poljubnem katakondenziranem benzenoidnem sistemu.

Language:Slovenian
Keywords:kemijska teorija grafov, prirejanje, število k-prirejanj, Hosoyev indeks, katakondenziran benzenoidni sistem
Work type:Final seminar paper
Typology:2.11 - Undergraduate Thesis
Organization:FMF - Faculty of Mathematics and Physics
Year:2023
PID:20.500.12556/RUL-150828 This link opens in a new window
UDC:519.17
COBISS.SI-ID:165622019 This link opens in a new window
Publication date in RUL:24.09.2023
Views:630
Downloads:58
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Secondary language

Language:English
Title:Computing the Number of Matchings in Catacondensed Benzenoid Systems
Abstract:
The thesis deals with topics from the field of chemical graph theory. The Hosoya index of a graph $G$ is defined as ${Z(G) = \sum_{k \geq 0} p(G,k)}$, where $p(G,k)$ is the number of $k$-matchings in the graph $G$, and is associated with many thermodynamic properties such as boiling point, entropy and total $\pi$-electron energy. The aim of this thesis is to present a way to compute the Hosoya index of catacondensed benzenoid systems with transfer matrix technique.

Keywords:chemical graph theory, matching, number of k-matchings, Hosoya index, catacondensed benzenoid system

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