Jiří Kalmár defended his bc. thesis, Congratulations!

Topic: Optical properties of defected fluorographene. Abstract: It has been shown that structural defects, which arise during the synthesis of 2D materials, can significantly influence their electronic and optical properties. In this bachelor thesis we have investigated, with the help of density functional theory,the effect of 5 structural defects on the optical properties of fluorographene.…

Martin Mistrík defended his master thesis, Congratulations!

Topic: Fractional Charge Modeling in Atoms Abstract: The basic goal of this work is modeling of fractional charge and the associated study of the change in energy depending on the fractional charge and charge delocalization with using the DFT (B3LYP), DFT (PBE) and HF methods with the basis 6-31++G(d,p), on specific low-spin models 8 H,…