CO2capture through halogen bonding: A th
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HaiYing Li, YunXiang Lu, Xiang Zhu, ChangJun Peng, Jun Hu, HongLai Liu, Ying Hu
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Article
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2012
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SP Science China Press
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English
β 615 KB
Halogen bonding interactions between several halogenated ion pairs and CO 2 molecules have been investigated by means of density functional theory calculations. To account for the influence of solvent environment, the implicit polarized continuum model was also employed. The bromide and iodide catio