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Ab initio investigation of icosahedral Si60

✍ Scribed by R. Crespo; M.C. Piqueras; F. Tomás


Book ID
116136911
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
328 KB
Volume
77
Category
Article
ISSN
0379-6779

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Large scale Hartree-Fock calculations were performed to estimate the thermodynamic stability of the recently proposed spheroidal C,, molecule ("Buckminsterfullerene") relative to a sixty-atom single sheet of graphite. The molecular geometry as well as the ionization potential and electron affinity o