544 citations · 1.7k across the 20 of their papers we have counts for
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cond-mat.mtrl-sci2013★ 15 cited
Boron aggregation in the ground states of boron-carbon fullerenes
Stephan Mohr, Pascal Pochet, Maximilian Amsler +4
We present novel structural motifs for boron-carbon nano-cages of the stochiometries B12C48 and B12C50, based on first principle calculations. These configurations are distinct fro…
cond-mat.mtrl-sci2013★ 143 cited
Metrics for measuring distances in configuration spaces
Ali Sadeghi, S. Alireza Ghasemi, Bastian Schaefer +3
In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The…