Accurate static and dynamic properties of liquid-electrolytes for Li-ion batteries from ab initio molecular dynamics... Journal March, 2011
The Role of Low-coordinate Oxygen on Co3O4(110) in Catalytic Oxidation of CO... Journal February, 2011
Functionalizing Porous-Aromatic Frameworks with Polar Organic Groups for High-Capacity and Selective CO2 Separation: A Molecular Simulation Study Journal February, 2011
A classical density functional theory for interfacial layering of ionic liquids... Journal January, 2011
Interstaple Dithiol Cross-Linking in Au(25)(SR)(18) Nanomolecules: A Combined Mass Spectrometric and Computational Study Journal January, 2011
Inter-staple Dithiol Crosslinking in Au25(SR)18 Nanomolecules: A Combined Mass Spectrometric and Computational Study Journal January, 2011
