کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9590670 | 1507009 | 2005 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The structural relationship between RandiÄ indices, adjacency matrixes, distance matrixes and maximum wave length of linear simple conjugated polyene compounds
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The structural relationship between RandiÄ indices, adjacency matrixes, distance matrixes and maximum wave length of linear simple conjugated polyene compounds The structural relationship between RandiÄ indices, adjacency matrixes, distance matrixes and maximum wave length of linear simple conjugated polyene compounds](/preview/png/9590670.png)
چکیده انگلیسی
Graph theory provides the useful natural mathematical frameworks for the quantitative codification of classical chemical bonding ideas. One of the useful indices for examination of structure-property relationship is RandiÄ index. In this study, is represented the relationship between the RandiÄ index, the determinants of the adjacency matrix and distance matrix to maximum wave length (λmax) of the linear simple conjugated polyenes. The alternative double bonds and conjugation in the polyene compounds are one of the main properties in these compounds. Some of the properties here considered are associated with the molecular orbital method include and λmax, the electrical conductivity and the difference energy level of the HOMO and LUMO orbitals (ÎE). For calculation the λmax of the compounds could use the Fieser-Kuhn rule. The interesting results of concerning among λmax and the above indices are presented.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 726, Issues 1â3, 1 August 2005, Pages 183-188
Journal: Journal of Molecular Structure: THEOCHEM - Volume 726, Issues 1â3, 1 August 2005, Pages 183-188
نویسندگان
Avat (Arman) Taherpour, Fatemeh Shafiei,