Oxidation mechanism of the int...
Ab initio density-functional theory and thermodynamics calculations are combined to establish a microscopic mechanism for the...
read moreAb initio density-functional theory and thermodynamics calculations are combined to establish a microscopic mechanism for the...
read moreThe equilibrium association free enthalpies ΔG(a) for typical supramolecular complexes in solution are calculated by ab initio...
read moreSelf-assembled monolayers (or SAMs) created from monoreactive perfluoroalkylsilanes by deposition from a toluene solution are...
read moreThe structural, electronic, phonon dispersion and thermodynamic properties of MHCO(3) (M = Li, Na, K) solids were investigated...
read more