Fast partial-differential synthesis of the matching polynomial of C72-100

被引:17
作者
Salvador, JM [1 ]
Hernandez, K [1 ]
Beltran, A [1 ]
Duran, R [1 ]
Mactutis, A [1 ]
机构
[1] Univ Texas, Dept Chem, El Paso, TX 79968 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1998年 / 38卷 / 06期
关键词
D O I
10.1021/ci9800155
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The Thesis algorithm uses partial-differential edge operators and a grammatical structure to generate and avoid expanding the Matching Polynomial. To Nn the algorithm efficiently, the vertexes of fullerene graphs C60-100 were sorted into three-dimensional sectors.
引用
收藏
页码:1105 / 1110
页数:6
相关论文
共 14 条
[1]   NEW DEFINITION OF DEWAR-TYPE RESONANCE ENERGIES [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) :2750-2758
[2]   SPHERICAL AROMATICITY OF BUCKMINSTERFULLERENE [J].
AIHARA, J ;
HOSOYA, H .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1988, 61 (07) :2657-2659
[3]  
Aihara J, 1996, MATCH-COMMUN MATH CO, P7
[4]  
[Anonymous], MATCH COMMUN MATH CO
[5]   MATCHING POLYNOMIAL AND TOPOLOGICAL RESONANCE ENERGY OF C-70 [J].
BABIC, D ;
ORI, O .
CHEMICAL PHYSICS LETTERS, 1995, 234 (1-3) :240-244
[6]   Topological resonance energy of fullerenes [J].
Babic, D ;
Brinkmann, G ;
Dress, A .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1997, 37 (05) :920-923
[7]   GENERAL-METHOD FOR THE COMPUTATION OF MATCHING POLYNOMIALS OF GRAPHS [J].
BALAKRISHNARAJAN, MM ;
VENUVANALINGAM, P .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (05) :1122-1126
[8]   MATCHING POLYNOMIALS OF FULLERENE CLUSTERS [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1993, 201 (1-4) :306-314
[9]   EXHAUSTIVE GENERATION AND ANALYTICAL EXPRESSIONS OF MATCHING POLYNOMIALS OF FULLERENES C20-C50 [J].
BALASUBRAMANIAN, K .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (02) :421-427
[10]   GRAPH THEORY AND MOLECULAR-ORBITALS .19. NONPARAMETRIC RESONANCE ENERGIES OF ARBITRARY CONJUGATED SYSTEMS [J].
GUTMAN, I ;
MILUN, M ;
TRINAJSTIC, N .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) :1692-1704