Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction

Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction

10.1039/c3ce41737a

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Bibliographic Details
Main Authors: Zhang, K., Chen, Y., Nalaparaju, A., Jiang, J.
Other Authors: CHEMICAL & BIOMOLECULAR ENGINEERING
Format: Article
Published: 2014
Online Access:http://scholarbank.nus.edu.sg/handle/10635/88982
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Institution: National University of Singapore
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Summary:10.1039/c3ce41737a

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