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Electronic and reactivity characteristics of CL-20 covalent chains and networks: A density functional theory study

The covalent low-dimensional nanostructures built with CL-20 units by means of CH2 molecular bridges are examined in order to investigate the possibility and probability of creating covalently bonded arrays with CL-20 fragments as building blocks. In this way, various CL-20 oligomers were constructed includi

Authors:   Margarita Aleksandrovna Gimaldinova; Mikhail Mikhailovich Maslov; Konstantin Petrovich Katin
Journal:   CrystEngComm
DOI:   10.1039/C8CE00763B
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  • density functional theory
  • building blocks
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