Topological Relationship Between Wiener Index in contrast to the Energy and Electric Moments in TUVC6I2p, ill with Same Circumference and Various Lengths
الموضوعات : Journal of Physical & Theoretical Chemistry
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الکلمات المفتاحية: Armchair carbon Nanotubes: Wie, Ab initio method: Molecular
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ملخص المقالة :
Topological indices are one of the oldest and most widely used descriptors in Quantitative StructureProperties Relationvhips (QSPR). Amongst the topological indices used a,s descriptors in QSPIC., the Wienerindex is by far the most popular index. as it has been shown that the Wiener index has a strong correlationwith the chemical propenies of the compound.In this study, the relationship between some of the Wiener index in contrast to the electric moments andenergy (klma]) of some armchair polyher. carbon nanotubes ThAter[2p, g] with same circumference [216and various length [g] an: presented. The results are performed by use of the Gaussian 98 program P theRestricted Hamee-fock RUE) levels with the 3-210 basis set.
