1.
Nanoscale Res Lett
; 4(9): 1085-9, 2009 Jun 11.
Artigo
em Inglês
| MEDLINE
| ID: mdl-20596438
RESUMO
Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene. Borozene is planar, possesses a large first excitation energy, D3hsymmetry, and more importantly is aromatic. Furthermore, the calculated anisotropy of the magnetic susceptibility of borozene is three times larger in absolute value than for benzene. Finally, we show that borozene molecules may be fused together to give larger aromatic compounds with even larger anisotropic susceptibilities.
2.
Phys Rev B Condens Matter
; 53(18): 12242-12252, 1996 May 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-9982856
3.
Phys Rev B Condens Matter
; 53(18): 12253-12275, 1996 May 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-9982857
4.
Phys Rev B Condens Matter
; 50(10): 6958-6981, 1994 Sep 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-9974654
5.
Phys Rev B Condens Matter
; 45(1): 217-229, 1992 Jan 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-10000170
6.