Selected
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10. |
Cao D.P., Lan J.H., Wang W.C., and Smit B., Li-doped 3D covalent organic frameworks: High capacity hydrogen storage materials, Angewandte Chemie International Edition 2009, 48, 4730 (Selected as “Hot” Paper)
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9. |
Lan J. H., Cao D. P., Wang W. C., Li12Si60H60 Fullerene Composite:A Promising Hydrogen Storage Medium, ACS Nano 2009, 3, 3294–3300
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8. |
JH Lan, DP Cao, WC Wang, T Ben and GS Zhu, High-Capacity Hydrogen Storage in Porous Aromatic Frameworks with Diamond-like Structure, J. Phys. Chem. Lett. 2010, 1, 978
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7. |
Lan J.H., Cheng, D.J., Cao, D.P., and Wang, W.C., Silicon Nanotube as a Promising Candidate for Hydrogen Storage: From the First Principle Calculations to Grand Canonical Monte Carlo Simulations, J. Phys. Chem. C 2008, 112, 5598~5604
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6. |
Xu X.F., and Cao D.P., Density functional theory for adsorption of colloids on the polymer-tethered surfaces: Effect of polymer chain architecture, Journal of Chemical Physics 2009, 130, 164901 (Selected as Cover Image, 2009, April 28)
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5. |
Zheng F.X., Chen G.J., Zhang X.R., and Wang W.C., A Monte Carlo study of crowding effects on the self-assembly of amphiphilic molecules, J. Chem. Phys. 2009, 130, 204701 (cover page)
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4. |
Zhang, X. C.; Huo, F.; Liu, Z. P.; Wang, W. C.; Shi, W.; Maginn, E. J.,, Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): A Molecular View by Computer Simulations, Journal of Physical Chemistry B 2009, 113, 7591-7598
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3. |
Zhang, X. C.; Liu, Z. P.; Wang, W. C.,, Screening of ionic liquids to capture CO2 by COSMO-RS and experiments, AIChE Journal 2008, 54, 2717-2728
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2. |
Cao D.P., and wu J.Z., Molecular simulation of novel carbonaceous materials for hydrogen storage, Nano Letters 2004, 4, 1489
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1. |
Liu, Z. P.; Huang, S. P.; Wang, W. C., A refined force field for molecular simulation of imidazolium-based ionic liquids., Journal of Physical Chemistry B 2004, 108, 12978-12989 (times cited 144)
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