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|Title:||Semi-empirical and ab initio studies on the structure and polarizability of C60, C70 and C84|
|Authors:||Semwal, R P|
Balodi, J P
|Abstract:||The polarizabilities of a number of aromatic hydrocarbons and the three fullerenes (C60, C70 and C84) have been calculated using a new empirical approach based on the square of the sum of the atomic hybrid components(τ A) as given by the relation α(abc)= (Å3) where the summation proceeds over all atoms A= 1,2,3---, and N is the total number of electrons in the molecule. The geometries have also been optimized.|
|Appears in Collections:||IJC-A Vol.40A(07) [July 2001]|
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