TY - JOUR
T1 - Una nueva definición de la matriz de adyacencia que contempla la presencia de heteroátomos del segundo nivel cuántico
AU - García Espeso, Vicente
AU - Molins Vara, José Javier
AU - Forns Giró, Anna
AU - Domínguez García, Sergio
AU - Rodríguez Cruz, Xosé Manuel
AU - Riera Parcerisas, Fèlix
PY - 2002/9
Y1 - 2002/9
N2 - It is proposed a modification in the definition of the adjacency matrix for trees of ponderated arches and apices, that is, acyclic molecules which contain heteroatoms and consequently, double and triple bonds between them or with carbon atoms. The objective is to assign a weight k not only to multiple bonds but also a weight h to every apex. The values of these parameters are obtained when the characteristic polynomial, and consequently the adjacency matrix, really maintain one property of the Hosoya index.
AB - It is proposed a modification in the definition of the adjacency matrix for trees of ponderated arches and apices, that is, acyclic molecules which contain heteroatoms and consequently, double and triple bonds between them or with carbon atoms. The objective is to assign a weight k not only to multiple bonds but also a weight h to every apex. The values of these parameters are obtained when the characteristic polynomial, and consequently the adjacency matrix, really maintain one property of the Hosoya index.
KW - Adjacency matrix
KW - Graphs of vertex and ponderate arches
KW - Hosoya index
KW - QSPR
UR - http://www.scopus.com/inward/record.url?scp=0036770496&partnerID=8YFLogxK
M3 - Artículo
AN - SCOPUS:0036770496
SN - 0001-9704
VL - 59
SP - 516
EP - 520
JO - Afinidad
JF - Afinidad
IS - 501
ER -