Trinity College Dublin

Publications 1999

31. Parker S.C., DeLeeuw N.H., Harris D.J., Higgins F.M., Oliver P.M., Redfern S.E. and Watson G.W.
    'Atomistic simulation of oxide dislocations and interfaces'
    Radiation Effects & Defects in Solids 151, 185-195 (1999).
    


30. Watson G.W. and Parker S.C.
    'The origin of the lone pair of a -PbO from first principles calculations.'
    Journal of Physical Chemistry B 103, 1258-1262 (1999).
    


29. Hutchings G.J., Watson G.W. and Willock D.J.
    'Methanol conversion to hydrocarbons over zeolite catalysts: comments on the reaction mechanism for the formation of the first carbon-carbon bond.'
    Microporous and Mesoprous Materials 29, 67-77 (1999)
    


28. Wells R.P.K., Tynjala P. Bailie J.E., Willock D.J., Watson G.W., King F., Rochester C.H., Bethell D., Page P.V.B and Hutchings G.J.
    'Dehydration on butan-2-ol using modified zeolite crystals.'
    Applied Catalysis A: General 182, 75-84.
    


27. Watson G.W., Parker S.C., and Kresse G.
    'Ab initio calculation of the origin of the distortion of a-PbO.'
    Physical Review B 59, 8481-8486 (1999)
    


26. Watson G.W., Kelsey E.T. and Parker S.C.
    'Atomistic simulation of screw dislocations in rock salt structured materials.'
    Phil. Mag. A 79, 527-536 (1999)
    


25. Harris D.J., Watson G.W. and Parker S.C.
    'Computer Simulation of pressure-induced structural transitions in MgO[001] tilt grain boundaries'
    American Mineralogist, 84, 138-143 (1999)