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Calculated Accessibilities and Nucleophilicities of Linear and Cyclic Amines for Carbon Dioxide Absorption Reactions

  • Shim, Jae-Goo (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Jhon, Young-H. (Department of Chemistry, Soongsil University) ;
  • Kim, Jun-Han (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Lee, Ji-Hyun (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Lee, In-Young (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Jang, Kyung-Ryong (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Kim, Ja-Heon (Department of Chemistry, Soongsil University)
  • Received : 2011.03.24
  • Accepted : 2011.07.04
  • Published : 2011.08.20

Abstract

Keywords

$CO_2$;Cyclic;Linear;Amines;Accessibility;MD;Nucleophilicity;DFT

Acknowledgement

Supported by : KETEP

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