TY - JOUR

T1 - A Divide-and-Conquer Algorithm Use to Study Some Benzenoid Hydrocarbons. A Graphtheoretic and Computational Approach

AU - Patra, Swarna M.

AU - Mishra, Rama K.

PY - 1998/1/1

Y1 - 1998/1/1

N2 - A computer program based on a divide-and-conquer algorithm was used to numerically split a univariate polynomial into factors depicting the various parts of Eπ (π: electronic energy) and K (total Kekulé structure count) of the benzenoid graphs. A multivariate regression equation is suggested, taking n, m, and Ki as the independent variables and Eπ (total) as the dependent variable; n, m, and Ki are the number of vertices, edges, and the fraction of the total K, respectively. A satisfactory correlation coefficient (R2 > 0.99) was obtained.

AB - A computer program based on a divide-and-conquer algorithm was used to numerically split a univariate polynomial into factors depicting the various parts of Eπ (π: electronic energy) and K (total Kekulé structure count) of the benzenoid graphs. A multivariate regression equation is suggested, taking n, m, and Ki as the independent variables and Eπ (total) as the dependent variable; n, m, and Ki are the number of vertices, edges, and the fraction of the total K, respectively. A satisfactory correlation coefficient (R2 > 0.99) was obtained.

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U2 - 10.1246/bcsj.71.1013

DO - 10.1246/bcsj.71.1013

M3 - Article

AN - SCOPUS:1542529460

VL - 71

SP - 1013

EP - 1017

JO - Bulletin of the Chemical Society of Japan

JF - Bulletin of the Chemical Society of Japan

SN - 0009-2673

IS - 5

ER -