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Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations.

Hao XuWenxiao PanRuoxi WangDongju ZhangChengbu Liu
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • data management
  • sensor networks
  • fault tolerant