Predicting the crystal structure of $$\hbox {N}_5\hbox {AsF}_6$$ high energy density material using ab initio evolutionary algorithms
$$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 is the first successfully synthesized salt that has a polymeric nitrogen moeity ( $$\hbox {N}_5^+$$ N 5 + ). Although 12 other $$\hbox {N}_5^+$$ N 5 + salts followed, with $$\hbox {N}_5\hbox {SbF}_6$$ N 5 SbF 6 and $$\hbox {N}_5\hbox {Sb}_2\hbox {F}_{11}$$ N 5...
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| Published in: | Scientific reports Vol. 11; no. 1 |
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| Main Authors: | , , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
12.04.2021
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| ISSN: | 2045-2322, 2045-2322 |
| Online Access: | Get full text |
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