Bromine clusters and associates
Search method: Coalescence Kick (CK)
CK method:
Sergeeva A.P., Averkiev B.B., Zhai H.-J., Boldyrev A.I., and Wang L.-S.
J. Chem. Phys.
134
, 224304 (2011)
Geometry optimization by DFT/PBE/L1 (PRIRODA program, basis aka cc-pCVTZ)
with thermochemical ΔG (298.15 K) and
Grimme's D3
corrections for energy of optimized geometry
On figure(s) below click on the level title to download xyz file
==>
Click on energy level to view 3D structure in browser (run JSmol)
==>
Br
6
(3Br
2
)
Br
8
(4Br
2
)
Br
10
(5Br
2
)
Zero energy corresponds to separated
Feb 19 2018