Trinity College Dublin

Publications 2004

74. Walsh A.J. and Watson G.W.
    Electronic structures of rock salt, litharge and herzenbergite SnO by density functional theory
    Physical Review B, 70, 235114 (2004).
    


73. Kinsella GE, Rozas I and Watson GW.
    Computational development of an a1a Adrenoceptor Model in a Membrane Mimic
    Bichemical and Biophysical Research Communications, 324, 916-921 (2004)
    


72. Glans P.A., Learmonth T., McGuinness C., Smith K.E., Guo J., Walsh A., Watson G.W., Egdell R.G.
    On the involvement of the shallow core 5d level in the bonding in HgO
    Chemical Physics Letters 299, 98-101 (2004)
    


71. Ledwith D., Pillai S.C., Watson G.W. and Kelly J.M.
    Microwave induced preparation of a-axis oriented double-ended needle-shaped ZnO microparticles
    Chemical Communications, 20, 2294-2295 (2004)
    


70. Fearon J. and Watson G.W.
    Adsorption of ethene and methanal on Pt {111} and Pt/Sn {111} surfaces: a first principles DFT study
    Proceedings of 3rd International Conference Computational Modelling and Simulation of Materials, Part A, 589-598 (2004)
    


69. Walsh A. and Watson G.W.
    The formation and absence of asymmetric electron densities in PbO and PbS: the end of the Pb 6s2 lone pair myth
    Proceedings of 3rd International Conference Computational Modelling and Simulation of Materials, Part A, 157-164 (2004)
    


68. Nolan M., Grigoleit S., Sayle D.C., Parker S.C. and Watson G.W.
    The structure and electronic structure of the low index surfaces of ceria from density functional theory calculations
    Proceedings of 3rd International Conference Computational Modelling and Simulation of Materials, Part A, 175-183 (2004)