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 ...

This study is based on the valuation of a few model molecules. The objective of this research is focussed on the nonlinear optical (NLO) improvement of four organometallic molecules and one organic ...

Density functional theory (DFT) calculations, combined with a constrained minima hopping algorithm (global minimum search while preserving the molecular identity), have been performed to investigate ...

2016 Topics Chemistry, Chemistry -- Problems, exercises, etc Publisher Oxford : Oxford University Press Collection internetarchivebooks; printdisabled Contributor Internet Archive Language English ...

548 pagina's ; 20 cm Adrian Mole becommentarieert vanaf zijn 13e in zijn dagboek de moderne leefcultuur en de politiek Adrian Mole beschrijft vanaf zijn 13e in zijn dagboek wat hij meemaakt; van ...