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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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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spelling	sg-nus-scholar.10635-889822023-10-27T07:16:10Z Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction Zhang, K. Chen, Y. Nalaparaju, A. Jiang, J. CHEMICAL & BIOMOLECULAR ENGINEERING 10.1039/c3ce41737a CrystEngComm 15 47 10358-10366 CRECF 2014-10-09T06:48:36Z 2014-10-09T06:48:36Z 2013-12-21 Article Zhang, K., Chen, Y., Nalaparaju, A., Jiang, J. (2013-12-21). Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction. CrystEngComm 15 (47) : 10358-10366. ScholarBank@NUS Repository. https://doi.org/10.1039/c3ce41737a 14668033 http://scholarbank.nus.edu.sg/handle/10635/88982 000327249000029 Scopus
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
description	10.1039/c3ce41737a
author2	CHEMICAL & BIOMOLECULAR ENGINEERING
author_facet	CHEMICAL & BIOMOLECULAR ENGINEERING Zhang, K. Chen, Y. Nalaparaju, A. Jiang, J.
format	Article
author	Zhang, K. Chen, Y. Nalaparaju, A. Jiang, J.
spellingShingle	Zhang, K. Chen, Y. Nalaparaju, A. Jiang, J. Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
author_sort	Zhang, K.
title	Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
title_short	Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
title_full	Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
title_fullStr	Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
title_full_unstemmed	Functionalized metal-organic framework MIL-101 for CO2 capture: Multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
title_sort	functionalized metal-organic framework mil-101 for co2 capture: multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction
publishDate	2014
url	http://scholarbank.nus.edu.sg/handle/10635/88982
_version_	1781785254870122496

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

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