Nano Archive

Study of Hydrogen molecule and Hydrogen molecular ion confined in C-60 fullerene

Tayebirad, G. and Molayem, M. and Neek-Amal, M. (2008) Study of Hydrogen molecule and Hydrogen molecular ion confined in C-60 fullerene. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 5 (3). pp. 366-374.

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Official URL: http://www.ingentaconnect.com/asp/jctn/2008/000000...

Abstract

The ground state energies and electrons distribution of endohedrally confined Hydrogen molecule and Hydrogen molecular ion by a molecule of C-60 has been studied. We have used in our Diffusion Monte Carlo method study a familiar attractive shell model for C-60 cage. The variation of ground state energies and electron distribution due to the strength of attractive potential have been computed. The effects of small variation of nuclei distance and attractive shell thickness have also been studied.

Item Type:Article
Uncontrolled Keywords:fullerene; shell model; ground state energy
Subjects:Physical Science > Nano objects
Material Science > Nanochemistry
ID Code:2881
Deposited By:Farnush Anwar
Deposited On:13 Jan 2009 11:07
Last Modified:13 Jan 2009 11:07

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