Photochemical properties of 4-coumarinylmethyl derivatives (CM−X, X = Br, Cl, OH, OPh, SH, and SPh) in solution were studied by laser flash photolysis and DFT calculations. It was found that CM−Br and ...

Density functional theory calculations have been performed on a range of magnesium and magnesium hydride nanoclusters to examine the 1 bar desorption temperatures. The vibrational entropies and ...