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Square- and hexa-cross sectional carbon and boron-nitride nanoneedles – A theoretical study

✍ Scribed by Salehfar, S.; Noorizadeh, S.

Book ID
122125393
Publisher
Elsevier
Year
2014
Tongue
English
Weight
1017 KB
Volume
1027
Category
Article
ISSN
2210-271X

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Heteroatomic cages B N with borons and nitrogens fully replacing alternant sets Nr2 N r2 of carbons in cages are built graph-theoretically and investigated via the semiempirical MNDO Hamiltonian. The comparison with their parent carbon cages C is made in N terms both of electronic and of geometric c