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数学与物理
应用数学进展
Vol. 5 No. 1 (February 2016)
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富勒烯C
10n
的化学拓扑指数计算
Calculation of Topological Index for Fullerene C
10n
DOI:
10.12677/AAM.2016.51020
,
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被引量
下载: 2,395
浏览: 5,156
国家自然科学基金支持
作者:
韩念念
,
高 炜
:云南师范大学信息学院,云南 昆明
关键词:
化学图论
;
富勒烯
;
第二类ABC指数
;
第二类GA指数
;
修改的Szeged指数
;
Chemical Graph Theory
;
Fullerene
;
The Second ABC Index
;
The Second GA Index
;
Modified Szeged Index
摘要:
在计算化学中,分子结构用图模型来表示称为分子图。其中每个顶点代表一个原子,每条边代表原子之间的化学键。研究发现,定义在分子图上的拓扑指数能反映化合物或者药物的化学性质。本文利用化学结构分析和边划分的方法得到富勒烯C
10n
的第二类ABC指数,第二类GA指数,以及修改的Szeged指数。
Abstract:
In computational chemistry, the molecular structures are modelled as graphs which are called the molecular graphs. In these graphs, each vertex represents an atom and each edge denotes covalent bound between atoms. It is shown that the topological indices defined on the molecular graphs can reflect the chemical characteristics of chemical compounds and drugs. In this paper, we present the second ABC index, the second GA index and modified Szeged index of fullerenes
C
10n
by means of chemical structure analysis and edge dividing techniques.
文章引用:
韩念念, 高炜. 富勒烯C
10n
的化学拓扑指数计算[J]. 应用数学进展, 2016, 5(1): 150-157.
http://dx.doi.org/10.12677/AAM.2016.51020
参考文献
[
1
]
Farahani, M.R., Gao, W. and Kanna, M.R.R. (2015) On The Omega Polynomials of A Family of Hydrocarbon Mole-cules “Polycyclic Aromatic Hydrocarbons Pank”. Asian Academic Research Journal of Multidisciplinary, 2, 263-268.
[
2
]
Gao, W. and Shi, L. (2014) Wiener Index of Gear Fan Graph And Gear Wheel Graph. Asian Journal of Chemistry, 26, 3397-3400.
[
3
]
Farahani, M.R. and Gao, W. (2015) The Schultz Index and Schultz Polynomial of the Jahangir Graphs . Applied Mathematics, 6, 2319-2325.
http://dx.doi.org/10.4236/am.2015.614204
[
4
]
Xi, W.F. and Gao, W. (2014) Geometric-Arithmetic Index and Zagreb Indices of Certain Special Molecular Graphs. Journal of Advances in Chemistry, 10, 2254-2261.
[
5
]
Gao, W. and Shi, L. (2015) Szeged Related Indices of Unilateral Polyomino Chain and Unilateral Hexagonal Chain. IAENG International Journal of Applied Mathematics, 45, 138-150.
[
6
]
Gao, W. and Farahani, M.R. (2016) Degree-Based Indices Computation for Special Chemical Molecular Structures Using Edge Dividing Method. Applied Mathematics and Nonlinear Sciences, 1, 94-117.
[
7
]
Estrada, E., Torres, L., Rodrguez, L. and Gutman, I. (1998) An Atom-Bond Connectivity Index: Modelling the Enthalpy of Formation of Alkanes. Indian Journal of Chemistry A, 37, 849-855.
[
8
]
Ghorbani, M. and Jalili, M. (2009) Computing A New Topological Index of Nano Structures. Digest Journal of Nanomaterials and Biostructures, 4, 681-685.
[
9
]
Ghorbani, M. and Hosseinzadeh, M.A. (2010) Computing ABC4 Index of Nanostar Dendrimers. Op-toelectronics and Advanced Materials-Rapid Communications, 4, 1419-1422.
[
10
]
Ghorbani, M. and Ghazi, M. (2010) Computing Some Topological Indices of Triangular Benzenoid. Digest Journal of Nanomaterials and Bios-tructures, 5, 1107-1111.
[
11
]
Graovac, A. and Ghorbani, M. (2010) A New Version of Atom-Bond Connectivity Index. Acta Chimica Slovenica, 57, 609-612.
[
12
]
Rostami, M., Haghighat, M.S. and Ghorbani, M. (2013) On Second Atom-Bond Connectivity Index. Iranian Journal of Mathematical Chemistry, 4, 265-270.
[
13
]
Tabar, G.F., Purtula, B. and Gutman, I. (2010) A New Geometric-Arithmetic Index. Journal of Mathematical Chemistry, 47, 477-486.
http://dx.doi.org/10.1007/s10910-009-9584-7
[
14
]
Zhan, F.Q. and Qiao, Y.F. (2014) The Second Geometric-Arithmetic Index of the Starlike Tree with k-Component. Mathematics in Practice and Theory, 44, 226-229.
[
15
]
Xing, R. and Zhou, B. (2011) On the Revised Szeged Index. Discrete Applied Mathematics, 159, 69-78.
http://dx.doi.org/10.1016/j.dam.2010.09.010
[
16
]
Chen, L., Li, X. and Liu, M. (2014) The (Revised) Szeged Index and the Wiener Index of a Nonbipartite Graph. European Journal of Combinatorics, 36, 237-246.
http://dx.doi.org/10.1016/j.ejc.2013.07.019
[
17
]
Dong, H., Zhou, B. and Trinajstic, N. (2011) A Novel Version of the Edge-Szeged Index. Croatica Chemica Acta, 84, 543-545.
http://dx.doi.org/10.5562/cca1889
[
18
]
Faghani, M. and Ashrafi, A.R. (2014) Revised and Edge Revised Szeged Indices of Graphs. Ars Mathematica contemporanea, 7, 153-160.
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