Research output: Contribution to journal › Article › peer-review
On the Wiener complexity and the Wiener Index of fullerene graphs. / Dobrynin, Andrey A.; Vesnin, Andrei Yu.
In: Mathematics, Vol. 7, No. 11, 1071, 01.11.2019.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - On the Wiener complexity and the Wiener Index of fullerene graphs
AU - Dobrynin, Andrey A.
AU - Vesnin, Andrei Yu
PY - 2019/11/1
Y1 - 2019/11/1
N2 - Fullerenes are molecules that can be presented in the form of cage-like polyhedra, consisting only of carbon atoms. Fullerene graphs are mathematical models of fullerene molecules. The transmission of a vertex v of a graph is a local graph invariant defined as the sum of distances from v to all the other vertices. The number of different vertex transmissions is called the Wiener complexity of a graph. Some calculation results on theWiener complexity and theWiener index of fullerene graphs of order n ≤ 232 and IPR fullerene graphs of order n ≤ 270 are presented. The structure of graphs with the maximal Wiener complexity or the maximal Wiener index is discussed, and formulas for the Wiener index of several families of graphs are obtained.
AB - Fullerenes are molecules that can be presented in the form of cage-like polyhedra, consisting only of carbon atoms. Fullerene graphs are mathematical models of fullerene molecules. The transmission of a vertex v of a graph is a local graph invariant defined as the sum of distances from v to all the other vertices. The number of different vertex transmissions is called the Wiener complexity of a graph. Some calculation results on theWiener complexity and theWiener index of fullerene graphs of order n ≤ 232 and IPR fullerene graphs of order n ≤ 270 are presented. The structure of graphs with the maximal Wiener complexity or the maximal Wiener index is discussed, and formulas for the Wiener index of several families of graphs are obtained.
KW - Fullerene
KW - Graph
KW - Wiener complexity
KW - Wiener index
KW - MATHEMATICAL ASPECTS
KW - TREES
KW - INFINITE FAMILY
KW - ISOMERS
KW - CONSTRUCTIVE ENUMERATION
KW - graph
KW - fullerene
UR - http://www.scopus.com/inward/record.url?scp=85075333888&partnerID=8YFLogxK
U2 - 10.3390/math7111071
DO - 10.3390/math7111071
M3 - Article
AN - SCOPUS:85075333888
VL - 7
JO - Mathematics
JF - Mathematics
SN - 2227-7390
IS - 11
M1 - 1071
ER -
ID: 22405000