Oxidation mechanism of the int...

Jul 13, 2012 by

Ab initio density-functional theory and thermodynamics calculations are combined to establish a microscopic mechanism for the...

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Supramolecular Binding Thermod...

Jul 13, 2012 by

The equilibrium association free enthalpies ΔG(a) for typical supramolecular complexes in solution are calculated by ab initio...

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Optimizing the Quality of Mono...

Jul 13, 2012 by

Self-assembled monolayers (or SAMs) created from monoreactive perfluoroalkylsilanes by deposition from a toluene solution are...

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Density functional theory stud...

Jul 13, 2012 by

The structural, electronic, phonon dispersion and thermodynamic properties of MHCO(3) (M =  Li, Na, K) solids were investigated...

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