| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394338 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠Binding energies for C108(BN)3n+6 are lower than C120+6n compounds. ⺠Binding energies decrease linearly as the size of hexagonal bridges increase. ⺠Magnetic field shows different behaviors inside BN and carbon hexagonal bridges. ⺠Bridge has antiaromatic character in C120+6n and non-aromatic in C108(BN)3n+6. ⺠Both kinds of the fullerene dimers yield negative NICS values at the cage centers.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Maryam Anafcheh, Reza Ghafouri,