Variable neighborhood search for extremal graphs: IV: Chemical trees with extremal connectivity index

作者: Gilles Caporossi , Ivan Gutman , Pierre Hansen

DOI: 10.1016/S0097-8485(99)00031-5

关键词: Topological indexChemical graph theoryCombinatoricsExtremal graph theoryConnectivityWindmill graphMathematicsDiscrete mathematicsVertex (graph theory)Trémaux treeBlock graph

摘要: Abstract By means of the variable neighborhood search algorithm, a newly designed heuristic approach to combinatorial optimization, we established structure chemical trees possessing extremal (maximal and minimal) values for Randic connectivity index ( χ ). These findings were eventually corroborated by rigorous mathematical proofs. As could have been anticipated, n -vertex tree with maximum is path. The minimum -value not unique. structures such (which should be considered as graph representations most branched alkanes) are fully characterized.

参考文章(14)
Béla Bollobás, Paul Erdös, Graphs of Extremal Weights. Ars Combinatoria. ,vol. 50, pp. 225- 233 ,(1998)
Pierre Hansen, Nenad Mladenović, An Introduction to Variable Neighborhood Search Les Cahiers du GERAD. pp. 433- 458 ,(1999) , 10.1007/978-1-4615-5775-3_30
P. Hansen, N. Mladenović, Variable neighborhood search for the p-median Location Science. ,vol. 5, pp. 207- 226 ,(1997) , 10.1016/S0966-8349(98)00030-8
Oswaldo Araujo, Daniel A. Morales, An alternative approach to orthogonal graph theoretical invariants Chemical Physics Letters. ,vol. 257, pp. 393- 396 ,(1996) , 10.1016/0009-2614(96)00545-3
N. Mladenović, P. Hansen, Variable neighborhood search Computers & Operations Research. ,vol. 24, pp. 1097- 1100 ,(1997) , 10.1016/S0305-0548(97)00031-2
Milan Randic, Characterization of molecular branching Journal of the American Chemical Society. ,vol. 97, pp. 6609- 6615 ,(1975) , 10.1021/JA00856A001
O. Favaron, M. Mahéo, J.-F. Saclé, Some eigenvalue properties in graphs (conjectures of Graffiti — II) Discrete Mathematics. ,vol. 111, pp. 197- 220 ,(1993) , 10.1016/0012-365X(93)90156-N
Daniel A. Morales, Oswaldo Araujo, The relationship between the connectivity index and the number and types of carbon atoms in a structure Journal of Molecular Structure-theochem. ,vol. 417, pp. 241- 246 ,(1997) , 10.1016/S0166-1280(97)00011-0
Ernesto Estrada, Nicolais Guevara, Ivan Gutman, Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications Journal of Chemical Information and Computer Sciences. ,vol. 38, pp. 428- 431 ,(1998) , 10.1021/CI970091S
Gilles Caporossi, Dragoš Cvetković, Ivan Gutman, Pierre Hansen, Variable Neighborhood Search for Extremal Graphs. 2. Finding Graphs with Extremal Energy Journal of Chemical Information and Computer Sciences. ,vol. 39, pp. 984- 996 ,(1999) , 10.1021/CI9801419