Algorithms to calculate the distance numbers and the Wiener indices of linear and cylindrical poly (p-phenylene) in terms of number of hexagonal rings

被引：15

作者：

Basu, Saumya ^{[2
]}

Ghosh, Piyali ^{[3
]}

Mandal, Bholanath ^{[1
]}

机构：

[1] Univ Burdwan, Dept Chem, Burdwan 713104, W Bengal, India

[2] Ramgopal Saraf Vidyapith, Burdwan, W Bengal, India

[3] MUC Womens Coll, Burdwan, W Bengal, India

来源：

MOLECULAR PHYSICS | 2008年 / 106卷 / 21-23期

关键词：

poly (p-phenylenes); distance numbers; Wiener index;

D O I：

10.1080/00268970802575564

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The compounds of poly (p-phenylene) are important materials for electro-optical and electronic applications. Algorithms for the calculation of the distances and hence the Wiener indices (W) of linear poly (p-phenylene) and cylindrical poly (p-phenylene) systems have been developed that require only the number of hexagonal rings present in the systems. Ambient conditions density and the bulk modulus of linear poly (p-phenylenes) with two to six phenyl rings have correlated with W1/4. Cylindrical poly (p-phenylene) systems with 5 and 6 phenyl rings are found to occur as intervening strands in between two caps of fullerene cages.

引用

页码：2507 / 2513

页数：7

共 37 条

[21] GRAPHICAL AND COLOR-PAIRING SYMMETRIES [J].

KLEIN, DJ ;

ZIVKOVIC, TP .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1990, 37 (04) :423-436

[22]

Klein DJ, 2002, CROAT CHEM ACTA, V75, P633

[23] THEOREMS FOR CARBON CAGES [J].

KLEIN, DJ ;

LIU, X .

JOURNAL OF MATHEMATICAL CHEMISTRY, 1992, 11 (1-3) :199-205

[24]

KLEIN DJ, 1990, MATH CHEM

[25] Wiener and Hosoya indices of reciprocal graphs [J].

Mandal, B ;

Banerjee, M ;

Mukherjee, AK .

MOLECULAR PHYSICS, 2005, 103 (19) :2665-2674

[26] QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs [J].

Mercader, A ;

Castro, EA ;

Toropov, AA .

CHEMICAL PHYSICS LETTERS, 2000, 330 (5-6) :612-623

[27] THE DISTANCE MATRIX IN CHEMISTRY [J].

MIHALIC, Z ;

VELJAN, D ;

AMIC, D ;

NIKOLIC, S ;

PLAVSIC, D ;

TRINAJSTIC, N .

JOURNAL OF MATHEMATICAL CHEMISTRY, 1992, 11 (1-3) :223-258

[28]

MIHALIC Z, 1991, J MOL STRUC-THEOCHEM, V232, P65

[29] FAST, RADIATION-HARD SCINTILLATING DETECTOR - A POTENTIAL APPLICATION FOR SOL-GEL GLASS [J].

NOGUES, JL ;

MAJEWSKI, S ;

WALKER, JK ;

BOWEN, M ;

WOJCIK, R ;

MORESHEAD, WV .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1988, 71 (12) :1159-1163

[30] From molecular connectivity indices to semiempirical connectivity terms: Recent trends in graph theoretical descriptors [J].

Pogliani, L .

CHEMICAL REVIEWS, 2000, 100 (10) :3827-3858

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