Metal-organic frameworks for CO2 storage and CO2/CH4 separation

由 Babarao, R., Jiang, J.
出版 2014

Unprecedentedly high selective adsorption of gas mixtures in rho zeolite-like metal-organic framework: A molecular simulation study

由 Babarao, R., Jiang, J.
出版 2014

Upgrade of natural gas in rho zeolite-like metal-organic framework and effect of water: A computational study

由 Babarao, R., Jiang, J.
出版 2014

Unraveling the energetics and dynamics of ibuprofen in mesoporous metal-organic frameworks

由 Babarao, R., Jiang, J.
出版 2014

Exceptionally high CO2 storage in covalent-organic frameworks: Atomistic simulation study

由 Babarao, R., Jiang, J.
出版 2014

Diffusion and separation of CO2 and CH4 in Silicalite, C168 schwarzite, and IRMOF-1: A comparative study from molecular dynamics simulation

由 Babarao, R., Jiang, J.
出版 2014

Ionic metal-organic frameworks for CO2 capture: A molecular simulation study

由 Babarao, R., Jiang, J.
出版 2014

Molecular computations of adsorption in nanoporous materials

由 Babarao, R., Jiang, J.
出版 2014

Molecular screening of metal-organic frameworks for CO2 storage

由 Babarao, R., Jiang, J.
出版 2014

Cation characterization and CO2 capture in Li +-exchanged metal-organic frameworks: From first-principles modeling to molecular simulation

由 Babarao, R., Jiang, J.W.
出版 2014

Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: From zeolites, metal-organic frameworks to protein crystals

由 Jiang, J., Babarao, R., Hu, Z.
出版 2014

Effect of water on adsorption in metal-organic frameworks: Insight from molecular simulation

由 Babarao, R., Yifei, C., Jiang, J.
出版 2014

Molecular insight into adsorption and diffusion of alkane isomer mixtures in metal - Organic frameworks

由 Babarao, R., Tong, Y.H., Jiang, J.
出版 2014

Molecular simulations for adsorptive separation of CO 2/CH 4 mixture in metal-exposed, catenated, and charged metal-organic frameworks

由 Babarao, R., Jiang, J., Sandler, S.I.
出版 2014

Highly porous ionic rht metal-organic framework for H2 and CO2 storage and separation: A molecular simulation study

由 Babarao, R., Eddaoudi, M., Jiang, J.W.
出版 2014

Corresponding states theory for the freezing of ionic liquids

由 Babarao, R., Jianwen, J., Woodcock, L.V.
出版 2014

Atomistic insight into adsorption, mobility, and vibration of water in ion- exchanged zeolite-like metal-organic frameworks

由 Nalaparaju, A., Babarao, R., Zhao, X.S., Jiang, J.W.
出版 2014

Storage and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: A comparative study from Monte Carlo simulation

由 Babarao, R., Hu, Z., Jiang, J., Chempath, S., Sandler, S.I.
出版 2014

Metal-organic framework MIL-101 for adsorption and effect of terminal water molecules: From quantum mechanics to molecular simulation

由 Chen, Y.F., Babarao, R., Sandler, S.I., Jiang, J.W.
出版 2014

A highly hydrophobic metal-organic framework Zn(BDC)(TED)0.5 for adsorption and separation of CH3OH/H2O and CO 2/CH4: An integrated experimental and simulation study

由 Chen, Y.F., Lee, J.Y., Babarao, R., Li, J., Jiang, J.W.
出版 2014