Trinity College Dublin

Publications 1997

22. Higgins F.M., Watson.W. and Parker S.C.
    'Effect of lattice relaxation on cation exchange in zeolite A using computer simulation'
    Journal of Physical Chemistry B 101, 9964-9972. (1997).
    


21. Harris D.J., Watson G.W. and Parker S.C.
    'Diffusion pathways and activation energies for migration at MgO tilt grain boundaries.'
    Physical Review B, 56, 11477-11484 (1997)
    


20. Watson G.W., Oliver P.M. and Parker S.C.
    'Computer simulation of the structure and stability of forsterite surfaces.'
    Physics and Chemistry of Minerals, 25, 70-78 (1997)
    


19. Hutchings G.J., Watson G.W. and Willock D.J.
    'The design of catalysts using molecular modelling'
    Chemistry and Industry, 15, 603-607 (1997)
    


18. Parker S.C., Oliver P.M., de Leeuw N.H., Titoloye J.O. and Watson G.W.
    'Atomistic simulation of mineral surfaces: studies of surface stability and growth'
    Phase Transitions, 61, 83-107 (1997)
    


17. Oliver P.M., Watson G.W., Kelsey E.T. and Parker S.C.'
    'Atomistic simulation of the surface structure of the TiO₂ polymorphs rutile and anatase'
    Journal of Materials Chemistry, 7, 563-568 (1997)
    


16. Watson G.W., Tschaufeser P., Wall A., Jackson R.A. and Parker S.C.
    'Lattice energy and free-energy minimisation techniques'
    In 'Computer Modelling in Inorganic Crystallography' (ed Catlow C.R.A.) Academic Press, 55-81 (1997)