Tuesday, August 25, 2015

B28: smallest all-boron cage from ab initio global search

Nanoscale, 2015, Accepted Manuscript
DOI: 10.1039/C5NR04034E, Communication
Jijun Zhao, Xiaoming Huang, Hongsheng Liu, Ruili Shi, Yan Su, Bruce King
Our ab initio global searches reveal a lowest-energy cage for B28, which is built from two B12 units and prevails over the competing structural isomers such as planar, bowl, and...
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