ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal–organic framework

Liangliang Huang, Kaushik L. Joshi, Adri C. T. van Duin, Teresa J. Bandosz, Keith E. Gubbins
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp41511a
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The following have contributed to this page: Dr Adri van Duin