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Understanding static, dynamic and cooperative porosity in molecular materials.

Daniel HoldenSamantha Yu-Ling ChongLinjiang ChenKim E JelfsTom HasellAndrew I Cooper
Published in: Chemical science (2016)
The practical adsorption properties of molecular porous solids can be dominated by dynamic flexibility but these effects are still poorly understood. Here, we combine molecular simulations and experiments to rationalize the adsorption behavior of a flexible porous organic cage.
Keyphrases
  • single molecule
  • molecular dynamics
  • highly efficient