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B28: the smallest all-boron cage from an ab initio global search
Monday, September 21, 2015 3:06
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Where size matters
Nanoscale, 2015, 7,15086-15090
DOI: 10.1039/C5NR04034E, Communication
DOI: 10.1039/C5NR04034E, Communication
Jijun Zhao, Xiaoming Huang, Ruili Shi, Hongsheng Liu, Yan Su, R. Bruce King
Our ab initio global searches reveal the lowest-energy cage for B28, which is built from two B12 units and prevails over the competing structural isomers such as planar, bowl, and tube.
The content of this RSS Feed (c) The Royal Society of Chemistry
Our ab initio global searches reveal the lowest-energy cage for B28, which is built from two B12 units and prevails over the competing structural isomers such as planar, bowl, and tube.
The content of this RSS Feed (c) The Royal Society of Chemistry
Source: http://nanochemistry.blogspot.com/2015/09/b28-smallest-all-boron-cage-from-ab_21.html
