Patra, Swarna M and Mishra, Rama K (1998) A divide-and-conquer algorithm use to study some benzenoid hydrocarbons. A graphtheoretic and computational approach. In: Bulletin of the Chemical Society of Japan, 71 (5). pp. 1013-1017.
Full text not available from this repository. (Request a copy)Abstract
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 E-pi (pi: electronic energy) and K (total Kekule structure count) of the benzenoid graphs. A multivariate regression equation is suggested, taking n, m, and K-i as the independent variables and E-pi (total) as the dependent variable; n, m, and K-i are the number of vertices, edges, and the fraction of the total K, respectively. A satisfactory correlation coefficient (R-2 > 0.99) was obtained.
| Item Type: | Journal Article |
|---|---|
| Publication: | Bulletin of the Chemical Society of Japan |
| Publisher: | The Chemical Society of Japan |
| Additional Information: | Copyright of this article belongs to The Chemical Society of Japan. |
| Department/Centre: | Division of Biological Sciences > Molecular Biophysics Unit |
| Date Deposited: | 18 May 2009 10:09 |
| Last Modified: | 20 Apr 2012 09:49 |
| URI: | http://eprints.iisc.ac.in/id/eprint/17876 |
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