Преглед WoS Import тема: "ab initio calculations"
Приказ резултата 1-17 од 17
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Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds
(International Journal of Hydrogen Energy, 2010) -
Ab initio studies of the structural, elastic, electronic and thermal properties of NiTi2 intermetallic
(Journal of Physics and Chemistry of Solids, 2015) -
Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface
(Computational and Theoretical Chemistry, 2017) -
Ab initio study of hyperfine interaction parameters in C14 Hf and Zr Laves-phase compounds
(Physical Review B: Condensed Matter and Materials Physics, 2009) -
Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2
(Journal of Alloys and Compounds, 2017) -
Electric field gradients at Ta and Cd in Ti(2)Pd compound
(Journal of Alloys and Compounds, 2009) -
Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals
(International Journal of Hydrogen Energy, 2014) -
Electronic structure and electric field gradient calculations for Hf2Rh intermetallic compound
(Materials Science and Engineering. A: Structural Materials Properties Microst, 2007) -
Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2
(International Journal of Hydrogen Energy, 2014) -
Mossbauer effect and first principle calculations of the electronic structure and hyperfine interaction parameters of Hf2Fe
(Journal of Physics and Chemistry of Solids, 2005) -
Platinum-mediated healing of defective graphene produced by irradiating glassy carbon with a hydrogen ion-beam
(Materials Chemistry and Physics, 2013) -
Site preference and lattice relaxation around 4d and 5d refractory elements in Ni3Al
(Journal of Synchrotron Radiation, 2016) -
Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds
(Intermetallics, 2006)