https://ogma.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 Small-radius clean and metal-doped boron carbide nanotubes: a density functional study https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3290 Wed 11 Apr 2018 16:32:16 AEST ]]> Ab initio calculations of the electronic structure and bonding characteristics of LaB₆ https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3278 Wed 11 Apr 2018 15:14:19 AEST ]]> Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:1703 Wed 11 Apr 2018 11:22:36 AEST ]]> Clean and metal-doped bundles of boron-carbide nanotubes: a density functional study https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3287 Wed 11 Apr 2018 10:05:53 AEST ]]> Shear stiffness in nanolaminar Ti₃SiC₂ challenges ab initio calculations https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:10719 Sat 24 Mar 2018 08:09:48 AEDT ]]> Optical properties of anatase and rutile titanium dioxide: ab initio calculations for pure and anion-doped material https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5444 Sat 24 Mar 2018 07:48:09 AEDT ]]> Ab initio calculations of the electronic structure of the ground states of HBeHe⁺ and BeHe²₂⁺ https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:3249 Sat 24 Mar 2018 07:21:23 AEDT ]]> Ab initio phonon dispersion curves used to check experimentally determined elastic constants of the MAX phase Ti₃SiC₂ https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23205 Sat 24 Mar 2018 07:10:28 AEDT ]]>