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1.
Acta Chim Slov ; 57(3): 559-64, 2010 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-24061800

RESUMO

Weighted Hosoya polynomials have been developed by Diudea, in ref. Studia Univ. "Babes-Bolyai", 2002, 47, 131-139. Among various weighting schemes, those polynomials obtained by using Diudea's Shell matrix operator are far more interesting. We present here the Shell-Distance and Shell-Degree-Distance polynomials and close formulas to calculate them and derived Cluj-Tehran CT index in the family of square tiled tori T(4,4)S[5,n]. Applications of the proposed descriptors are also presented.

2.
J Zhejiang Univ Sci B ; 6(3): 222-6, 2005 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-15682509

RESUMO

Let G be a weighted graph with adjacency matrix A=[a(ij)]. An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix D=[d(ij)], where for i not = j, d(ij) is the Euclidean distance between the nuclei i and j. In this matrix d(ii) can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce different weights for different nuclei. Balasubramanian (1995) computed the Euclidean graphs and their automorphism groups for benzene, eclipsed and staggered forms of ethane and eclipsed and staggered forms of ferrocene. This paper describes a simple method, by means of which it is possible to calculate the automorphism group of weighted graphs. We apply this method to compute the symmetry of tetraammine platinum(II) with C2v and C4v point groups.


Assuntos
Algoritmos , Modelos Químicos , Modelos Moleculares , Compostos de Nitrogênio/análise , Compostos de Nitrogênio/química , Compostos de Platina/análise , Compostos de Platina/química , Simulação por Computador , Isomerismo , Conformação Molecular , Análise Numérica Assistida por Computador
3.
J Zhejiang Univ Sci ; 4(1): 76-9, 2003.
Artigo em Inglês | MEDLINE | ID: mdl-12656347

RESUMO

Jajcay's studies (1993; 1994) on the automorphism groups of Cayley maps yielded a new product of groups, which he called, rotary product. Using this product, we define a hyperoperation [symbol: see text] on the group Syme(G), the stabilizer of the identity e [symbol: see text] G in the group Sym(G). We prove that (Syme(G), [symbol: see text]) is a hypergroup and characterize the subhypergroups of this hypergroup. Finally, we show that the set of all subhypergroups of Syme(G) constitute a lattice under ordinary join and meet and that the minimal elements of order two of this lattice is a subgroup of Aut(G).

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