topological relationship between wiener index in contrast to the energy and electric moments in tuvc6i2p, ill with same circumference and various lengths
نویسندگان
چکیده
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.
منابع مشابه
Topological Relationship Between Wiener Index in contrast to the Energy and Electric Moments in TUVC6I2p, ill with Same Circumference and Various Lengths
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...
متن کاملTopological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]
The electric quadrupole, hexadecapole moments, energy (kJmol -1) for some armchair polyhex carbon nanotubes TUVC6[2p,q] are performed by Beck-Lee-Yang-Parr [B3LYP] on 3-21G basis set using the standard procedure indices GAUSSIAN 98, then the Padmakar-Ivan (PI) index of TUVC6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the Pa...
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عنوان ژورنال:
journal of physical & theoretical chemistryISSN
دوره 6
شماره 2 2009
میزبانی شده توسط پلتفرم ابری doprax.com
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