MATCH Communications in Mathematical and in Computer Chemistry
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Published By University Library In Kragujevac

0340-6253

2021 ◽  
Vol 87 (3) ◽  
pp. 621-628
Author(s):  
Meysam Taheri-Dehkordi ◽  
◽  
Gholam Hossein Fath-Tabar

Fullerenes graphs are 3-connected, 3-regular planar graphs with faces including only pentagons and hexagons. If be a graph with a perfect matching, a subgraph H of G is a nice subgraph if G-V(H) has a perfect matching. In this paper, we show that in every fullerene graph arising from smaller fullerenes via chamfer transformation, each pair of pentagons is a nice subgraph.


2021 ◽  
Vol 87 (3) ◽  
pp. 653-660
Author(s):  
Harishchandra S. Ramane ◽  
◽  
B. Parvathalu ◽  
K. Ashoka

The energy of a graph is the sum of the absolute values of its eigenvalues. In this article, an exact relation between the energy of extended bipartite double graph and the energy of a graph together with some other graph parameters is given. As a consequence, equienergetic, borderenergetic, orderenergetic and non-hyperenergetic extended bipartite double graphs are presented. The obtained results generalize the existing results on equienergetic bipartite graphs.


Author(s):  
Modjtaba Ghorbani ◽  
Mardjan Hakimi-Nezhaad ◽  
Lihua Feng

Following Estrada's method, as given in [1], Ghorbani et al. communicated in [2], and later also in [3], the following result on A-energy.


2021 ◽  
Vol 87 (3) ◽  
pp. 561-575
Author(s):  
Yutong Liu ◽  
◽  
Congcong Ma ◽  
Haiyuan Yao ◽  
Xu Wang

The forcing polynomial and anti-forcing polynomial are two important enumerative polynomials associated with all perfect matchings of a graph. In a graph with large order, the exhaustive enumeration which is used to compute forcing number of a given perfect matching is too time-consuming to compute anti-forcing number. In this paper, we come up with an efficient method — integer linear programming, to compute forcing number and anti-forcing number of a given perfect matching. As applications, we obtain the di-forcing polynomials C60 , C70 and C72 , and as a consequence, the forcing and anti-forcing polynomials of them are obtained.


2021 ◽  
Vol 87 (3) ◽  
pp. 481-525
Author(s):  
Shinsaku Fujita ◽  

Combined-permutation representations (CPRs) for characterizing -skeletons (a benzene skeleton, a Haworth-projected skeleton, a superphane skeleton, and a coronene skeleton) are constructed by starting from respective sets of generators, where the permutation of each generator is combined with a mirror-permutation of 2-cycle to treat both achiral and chiral substituents under the GAP system. Thereby, the CPR of degree 8 (= 6 + 2) for the benzene skeleton, the CPR of degree 14 (= 12 + 2) for the Haworth-projected skeleton, the CPR of degree 14 (= 12 + 2) for the superphane skeleton, the CPR of degree 14 (= 12 + 2) for the coronene skeleton are generated to give primary mark tables (tables of marks) based on these CPRs. These primary mark tables generated by the GAP system are different in the sequence of subgroups from each other, although they stem from the same point group . They are unified into a single standard mark table by means of a newly-devised GAP function MarkTableforUSCI. Moreover, another newly-devised GAP function constructUSCITable is employed to construct a standard USCI-CF (unit-subduced-cycle-index-with-chirality-fittingness) table concordantly. After a set of PCI-CFs (partial cycle indices with chirality fittingness) is calculated for each skeleton, symmetry-itemized combinatorial enumeration is conducted by means of the PCI method of Fujita’s USCI approach (S. Fujita, Symmetry and Combinatorial Enumeration in Chemistry, Springer-Verlag, Berlin-Heidelberg, 1991).


2021 ◽  
Vol 87 (3) ◽  
pp. 645-652
Author(s):  
Ivan Gutman ◽  
Izudin Redžepović ◽  
Boris Furtula ◽  
Ali Mohammed Sahal

2021 ◽  
Vol 87 (3) ◽  
pp. 693-702
Author(s):  
Xiaoyun Lv ◽  
◽  
Bo Deng ◽  
Xueliang Li
Keyword(s):  

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