Research Article

Structure and Stability of B10N14: Cages, Sheets, and Rings

Table 1

Relative energies of the B10N14 cages shown in Figure 1.

IsomerEnergy (kJ/mole)

608A0.0
608B+10.7
1-10-3āˆ’8.1
284+63.8
365āˆ’33.2
446+17.6

Energies calculated are PBE1PBE/cc-pVDZ energies, including ZPE corrections.