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Title:Simplified computation of matchings in polygraphs
Authors:ID Graovac, Ante (Author)
ID Vukičević, Damir (Author)
ID Ježek, Damir (Author)
ID Žerovnik, Janez (Author)
Files:.pdf Croatica_Chemica_Acta_2005_Graovac_et_al._Simplified_computation_of_matchings_in_polygraphs.pdf (102,97 KB)
MD5: CB47131CE0AA8C98B3526F9ED85900D6
PID: 20.500.12556/dkum/8e6ddd5f-2c37-4cf6-b978-85212a530b87
 
URL http://hrcak.srce.hr/23
 
Language:English
Work type:Scientific work
Typology:1.01 - Original Scientific Article
Organization:FS - Faculty of Mechanical Engineering
Abstract:Matching polynomial and perfect matchings for fasciagraphs, rotagraphs and twisted rotagraphs are treated in the paper. Classical transfer matrix approach makes it possible to get recursions for matching polynomial and perfect matchings, but the order of the matrix grows exponentially in the number of the linking edges between monographs. Novel transfer matrices are introduced whose order is much lower than that in classical transfer matrices. The virtue of the method introduced is especially pronounced when twoor more linking edges end in the same terminal vertex of a monograph. An example of a polyacene polygraph with extended pairings is given where a novel matrix has only 16 entries as compared to 65536 entries in the classical transfer matrix. However, all pairings are treated here on equal footing, but the method introduced can be applied to selected types of pairings of interest in chemistry.
Keywords:polygraphs, matching polynomial, matchings, perfect matchings, Kekulé structures, extended structures, recursive enumeration, transfer matrix method
Publication status:Published
Publication version:Version of Record
Year of publishing:2005
Number of pages:str. 283-287
Numbering:Letn. 78, št. 2
PID:20.500.12556/DKUM-66667 New window
ISSN:0011-1643
UDC:51:54
ISSN on article:0011-1643
COBISS.SI-ID:9736726 New window
NUK URN:URN:SI:UM:DK:RZAK6L6J
Publication date in DKUM:05.07.2017
Views:1783
Downloads:107
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Categories:Misc.
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Record is a part of a journal

Title:Croatica Chemica Acta
Shortened title:Croat. Chem. Acta
Publisher:Hrvatsko kemijsko društvo
ISSN:0011-1643
COBISS.SI-ID:22807 New window

Document is financed by a project

Funder:ARRS - Slovenian Research Agency
Name:Novel Carbon Materials

Licences

License:CC BY 4.0, Creative Commons Attribution 4.0 International
Link:http://creativecommons.org/licenses/by/4.0/
Description:This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
Licensing start date:05.07.2017

Secondary language

Language:Croatian
Title:Pojednostavljeni račun sparivanja u poligrafovima
Abstract:U radu se razmatraju polinomi sparivanja i savršena sparivanja u fascia- i rotagrafovima te izvijenim rotagrafovima. Iako klasični postupak transfer matrice omogućava izvođenje rekurzija za polinom sparivanja i savršena sparivanja, red ove matrice eksponencijalno raste s brojem veza među monografovima. Ovdje su uvedene nove transfer matrice čiji je red mnogo niži od onoga za klasične transfer matrice, i to posebice kada jedna ili više veza među monografovima završava u jednom te istom čvoru. Postupak je ilustriran na primjeru poliacenskih poligrafova gdje ovdje uvedena matrica ima samo 16 elemenata u usporedbi s 65536 elemenata klasične transfer matrice. Iako se ovdje uvedeni postupak primjenjuje istovremeno na sva moguća sparivanja u poligrafovima, on je otvoren za primjenu na odabrana sparivanja od posebnoga kemijskoga interesa.
Keywords:poligrafi, polinomi, ujemanje, popolno ujemanje, Kekuléjeve strukture, razširjene strukture, rekurzivno štetje


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