Density functional theory modelling of amorphous silicon

Cooper, N. C. / Goringe, C. M. / McKenzie, D. R. | British Library Online Contents | 2000

Adsorption of chlorophenol on the Cu(111) surface: A first-principles density functional theory study

Altarawneh, M. / Radny, M. W. / Smith, P. V. et al. | British Library Online Contents | 2008

First-principles theory of copper in silicon

Estreicher, S. K. | British Library Online Contents | 2004

A first principles study of small Cu~n clusters based on local-density and generalized-gradient approximations to density functional theory

Massobrio, C. / Pasquarello, A. / Dal Corso, A. | British Library Online Contents | 1998

Generation of Amorphous SiO~2/SiC Interface Structure by the First-Principles Molecular Dynamics Simulation

Miyashita, A. / Ohnuma, T. / Iwasawa, M. et al. | British Library Online Contents | 2007