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Title:
Geometrijsko-aritmetični indeksi
Authors:
ID
Šošter, Julija
(Author)
ID
Črepnjak, Matevž
(Mentor)
More about this mentor...
ID
Krajnc, Peter
(Mentor)
More about this mentor...
Files:
MAG_Soster_Julija_2021.pdf
(949,25 KB)
MD5: A1C487EB545EDEB40935FCB329EA374A
PID:
20.500.12556/dkum/5bedecac-0788-437d-9794-955bb1350021
Language:
Slovenian
Work type:
Master's thesis/paper
Typology:
2.09 - Master's Thesis
Organization:
FNM - Faculty of Natural Sciences and Mathematics
Abstract:
Geometrijsko-aritmetični indeksi so posebna vrsta topoloških deskriptorjev, ki jih lahko povežemo s kemijsko teorijo grafov. Ti indeksi lahko dajo izredno dobre korelacije z določenimi fizikalno-kemijskimi lastnostmi določene vrste molekul kot tudi z drugimi topološkimi indeksi. Znotraj magistrskega dela so obravnavani štirje geometrijsko-aritmetični indeksi, to so prvi, drugi, tretji in peti geometrijsko-aritmetični indeks. V prvem delu predstavimo osnove teorije grafov, ki se navezujejo na te indekse, predstavimo vse štiri geometrijsko-aritmetične indekse in obravnavane fizikalno-kemijske lastnosti. Osrednji del magistrske naloge predstavljajo izračuni vseh štirih geometrijsko-aritmetičnih indeksov in korelacije le-teh s fizikalno-kemijskimi lastnostmi strukturnih izomerov oktana. Poleg tega bodo predstavljene korelacije z nekaterimi topološkimi indeksi in korelacije med obravnavanimi geometrijsko-aritmetičnimi indeksi. Končna ugotovitev kaže na to, da obstaja nekaj zelo dobrih korelacij med posameznimi geometrijsko-aritmetičnimi indeksi in fizikalno-kemijskimi lastnostmi izomerov oktana. Prav tako pa dajejo dobre rezultate tudi korelacije med nekaterimi topološkimi indeksi in geometrijsko-aritmetičnimi indeksi ter korelacije med samimi geometrijsko-aritmetičnimi indeksi.
Keywords:
geometrijsko-aritmetični indeksi
,
fizikalno-kemijske lastnosti
,
izomeri oktana
,
topološki indeksi
,
korelacije.
Place of publishing:
Maribor
Publisher:
[J. Šošter]
Year of publishing:
2020
PID:
20.500.12556/DKUM-78461
UDC:
519.17:54(043.2)
COBISS.SI-ID:
57510659
NUK URN:
URN:SI:UM:DK:H9KIGTE5
Publication date in DKUM:
01.04.2021
Views:
2038
Downloads:
80
Metadata:
Categories:
FNM
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:
ŠOŠTER, Julija, 2020,
Geometrijsko-aritmetični indeksi
[online]. Master’s thesis. Maribor : J. Šošter. [Accessed 11 April 2025]. Retrieved from: https://dk.um.si/IzpisGradiva.php?lang=eng&id=78461
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Licences
License:
CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
Link:
http://creativecommons.org/licenses/by-nc-nd/4.0/
Description:
The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.
Licensing start date:
06.01.2021
Secondary language
Language:
English
Title:
Geometric-arithmetic indices
Abstract:
Geometric–arithmetic indices are a particular type of topological descriptors that can be connected with chemical graph theory. These indices can provide extremely strong correlations with certain physical-chemical properties of a certain type of molecule, as well as correlations with other topological indices. This master’s thesis focuses on four geometric–arithmetic indices-the first, second, third, and fifth geometric–arithmetic index. The first part of the thesis introduces basic graph theories that deal with these indices, all four geometric–arithmetic indices, and the addressed physical-chemical properties. The main part contains computations of all four geometric–arithmetic indices and their correlations with physical-chemical properties of structural isomers of octane. Moreover, it presents correlations with certain topological indices and correlations among the analysed geometric–arithmetic indices. The findings indicate that there are some strong correlations between individual geometric–arithmetic indices and physical-chemical properties of octane structural isomers. Additionally, there exist strong correlations between certain topological indices and geometric-arithmetic indices, as well as correlations among the geometric-arithmetic indices themselves.
Keywords:
geometric-arithmetic indices
,
physicochemical properties
,
octane isomers
,
topological indices
,
correlations.
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