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CO2capture through halogen bonding: A theoretical perspective

✍ Scribed by HaiYing Li, YunXiang Lu, Xiang Zhu, ChangJun Peng, Jun Hu, HongLai Liu, Ying Hu


Book ID
118814079
Publisher
SP Science China Press
Year
2012
Tongue
English
Weight
615 KB
Volume
55
Category
Article
ISSN
1674-7291

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CO2capture through halogen bonding: A th
✍ HaiYing Li, YunXiang Lu, Xiang Zhu, ChangJun Peng, Jun Hu, HongLai Liu, Ying Hu πŸ“‚ Article πŸ“… 2012 πŸ› SP Science China Press 🌐 English βš– 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

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