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Showing results 1 to 4 of 4

1
Ab initio carbon capture in open-site metal-organic frameworks

Dzubak, Allison L.; Lin, Li-Chiang; Kim, Jihan; Swisher, Joseph A.; Poloni, Roberta; Maximoff, Sergey N.; Smit, Berend; et al, NATURE CHEMISTRY, v.4, no.10, pp.810 - 816, 2012-10

2
Predicting low-k zeolite materials

Poloni, Roberta; Kim, Jihan, JOURNAL OF MATERIALS CHEMISTRY C, v.2, no.13, pp.2298 - 2300, 2014

3
Probing Gas Adsorption in MOFs Using an Efficient Ab Initio Widom Insertion Monte Carlo Method

Lee, Youhan; Poloni, Roberta; Kim, Jihan, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.37, no.32, pp.2808 - 2815, 2016-12

4
Thermodynamics of gas adsorption in MOFs using Ab Initio calculations

Poloni, Roberta; Kim, Jihan, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.569 - 572, 2016-04

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