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 - 1998/5
Y1 - 1998/5
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
SN - 0009-2673
VL - 71
SP - 1013
EP - 1017
JO - Bulletin of the Chemical Society of Japan
JF - Bulletin of the Chemical Society of Japan
IS - 5
ER -