Trinity College Dublin

Publications 2007

109. Morgan B.J. and Watson G.W.
     A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface.
     Surface Science 601, 5034-5041 (2007).
     


108. Walsh A. and Watson G.W.
     Polymorphism in bismuth stannate: A first principles study
     Chemistry of Materials 19, 5158-5164 (2007)
     


107. Scanlon D.O. Walsh A. Morgan B.J. Noland M. Fearon J. and Watson G.W.
     Surface sensitivity in Lithium doping of MgO: A density functional theory study with correction for on site coulomb interactions
     Journal of Physical Chemistry 111, 7971-7979 (2007).
     


106. Payne D.J., Egdell R.G., Paolicelli G., Offi F., Panaccione G., Lacovig P., Monaco G., Vanko G., Walsh A., Watson G.W., Guo J., Beamson G., Glans P.A., Learmonth T., Smith K.E.
     Nature of electronic states at the Fermi level of metallic beta-PbO2 revealed by hard x-ray photoemission spectroscopy
     Physical Review B 75, 153102 (2007)
     


105. Quinn S., Doorley G.W., Watson G.W., Cowan A.J., George M.W., Parker A.W., Ronayne K.L., Towrie M., Kelly J.M.
     Ultrafast IR spectroscopy of the short-lived transients formed by UV excitation of cytosine derivatives
     Chemical Communications 21, 2130-2132 (2007).
     


104. Kinsella G.K., Rodriguez F., Watson G.W. and Rozas I.
     Computational approach to the basicity of a series of alpha 1 adrenoceptor ligands in aqueous solution
     Bioorganic and Medicinal Chemistry 15, 2850-2855 (2007).
     


103. Martin P., Parker S.C., Sayle D.C. and Watson G.W.
     Atomistic modelling of mutilayered ceria nanotubes
     Nano Letters 7, 543-546 (2007).
     


102. Payne D.J, Egdell R.G., Law D.S.L., Glans P.A., Learmonth T., Smith K.E., Guo J., Walsh A. and Watson G.W.
     Experimental and theoretical study of the electronic structures of a-PbO and b-PbO2
     Journal of Materials Chemistry 17, 267-277 (2007).