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Ab initio calculations of the oxygen-vacancy dipoles and M centers in CaF2
British Library Online Contents | 2007| -
Ab initio calculations of the relationship between the alpha alumina toughness and its electronic structure under pressure
British Library Online Contents | 2009| -
Ab initio calculations of the structural, elastic, electronic and optical properties of Cu3N as well as Cu3NLa and Cu3NCe compounds
British Library Online Contents | 2014| -
Ab initio calculations on the early growth state of Pt on TiO2(110) rutile and the role of CO molecule
British Library Online Contents | 2008| -
Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields
British Library Online Contents | 2016| -
Ab-initio determination of thermodynamic properties of CoSi2
British Library Online Contents | 2014| -
Ab-initio electronic structure, optical, dielectric and bonding properties of lizardite-1T
British Library Online Contents | 2011| -
Ab initio energetics of charge compensating point defects: A case study on MgO
British Library Online Contents | 2013| -
Ab initio interface configuration determination for β″ in Al–Mg–Si: Beyond the constraint of a preserved precipitate stoichiometry
British Library Online Contents | 2014| -
Ab-initio investigation of electronic and magnetic properties of Heusler alloys
British Library Online Contents | 2006| -
Ab initio investigation of the elastic and piezoelectric properties of lithium based Chalcogenides LiMX2 (M=Ga,In; X=S,Se)
British Library Online Contents | 2013| -
Ab-initio investigation of the finite-temperatures structural, elastic, and thermodynamic properties of Ti3AlC2 and Ti3SiC2
British Library Online Contents | 2016| -
Ab initio investigations of phonons and thermodynamic properties of ScZn and YZn in the B2 structure
British Library Online Contents | 2013| -
Ab initio investigations of structural, elastic and electronic properties of ZnSiP2: Pressure effect
British Library Online Contents | 2012| -
Ab initio investigations of the phase stability in group IVB and VB transition metal carbides
British Library Online Contents | 2016|
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