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Overcoming the compensation of acceptors in GaN:Mg by defect complex formation
Download from doi.orgMultiscale QM/MM modelling of catalytic systems with ChemShell
UploadAre Octahedral Clusters Missing on the Carbon Energy Landscape?
Download from doi.orgStructure searching methods: general discussion
UploadApplications of crystal structure prediction – inorganic and network structures: general discussion
UploadThermodynamically accessible titanium clusters TiN, N = 2–32
Download from doi.orgModeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
Download from doi.orgStructural and Optical Properties of Mg and Cd Doped ZnO Nanoclusters
Download from doi.orgLimits to Doping of Wide Band Gap Semiconductors
Download from www.researchgate.netBand alignment of rutile and anatase TiO2
Download from www.researchgate.netEquation of state of CaMnO3: a combined experimental and computational study
Download from link.springer.comLithium and oxygen adsorption at the β-MnO2 (110) surface
Download from pubs.rsc.orgMicroscopic origin of the optical processes in blue sapphire
Download from pubs.rsc.orgOne-dimensional embedded cluster approach to modeling CdS nanowires
Download from aip.scitation.orgIntroducing k-point parallelism into VASP
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