March 2006

Peroos, S. and du, Zhimei and de Leeuw, Nora Henriette (2006) A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy-apatite. Biomaterials 27 (9), pp. 2150-2161. ISSN 0142-9612.

2007

de Leeuw, Nora Henriette and Cooper, Timothy G. (2007) Surface simulation studies of the hydration of white rust Fe(OH)2, goethite [alpha]-FeO(OH) and hematite [alpha]-Fe2O3. Geochimica et Cosmochimica Acta 71 (7), 1655 - 1673. ISSN 0016-7037.

Grau-Crespo, Ricardo and Catlow, C R.A. and de Leeuw, Nora Henriette (2007) A computer modeling study of redox processes on the FeSbO4 (100) surface. Journal of Catalysis 248 (1), 77 - 88. ISSN 0021-9517.

December 2008

Rabone, J. and Carter, Andrew and Hurford, A.J. and de Leeuw, Nora Henriette (2008) Modelling the formation of fission tracks in apatite minerals using molecular dynamics simulations. Physics & Chemistry of Minerals 35 (10), pp. 583-596. ISSN 0342-1791.

February 2009

Daff, Thomas D. and Saadoune, I. and Lisiecki, I. and de Leeuw, Nora Henriette (2009) Computer simulations of the effect of atomic structure and coordination on the stabilities and melting behaviour of copper surfaces and nano-particles. Surface Science 603 (3), pp. 445-454. ISSN 0039-6028.

2011

Daff, Thomas D. and de Leeuw, Nora Henriette (2011) Ab initio molecular dynamics simulations of the cooperative adsorption of Hydrazine and water on copper surfaces: implications for shape control of nanoparticles. Chemistry of Materials 23 (11), pp. 2718-2728. ISSN 0897-4756.