Pregled Radovi istraživača tema: "ab initio"
Prikaz rezultata 1-12 od 12
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Band Gap Engineering of Newly Discovered ZnO/ZnS Polytypic Nanomaterials
(Nanomaterials, 2022) -
Computational Discovery of New Feasible Crystal Structures in Ce3O3N
(Crystals, 2023) -
Crystalline WO3 nanoparticles for No2 sensing
(Processing and Application of Ceramics, 2020) -
DFT Study of Crystalline TiO2 Phase Transitions Applicable in Extreme Environments
(Journal of Innovative Materials in Extreme Conditions, 2023) -
Energy landscape investigations of Y-ternary system (Y2O2S)
(Skopje: Society of chemists and technologists of Macedonia, 2018) -
A new theoretical model for hexagonal ice, Ih(d), from first principles investigations
(Zeitschrift fur Naturforschung. Section B: Journal of Chemical Sciences, 2020) -
Structure prediction, high pressure effect and properties investigation of superhard B6O
(Modelling and Simulation in Materials Science and Engineering, 2020) -
Theoretical investigation of structural, mechanical, elastic and vibrational properties of advanced materials under extreme conditions
(Procedia Structural Integrity, 2018) -
ZnO/ZnS (hetero)structures: ab initio investigations of polytypic behavior of mixed ZnO and ZnS compounds
(Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018)