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Density Functional Theory
Showing results 1 to 9 of 9
Issue Date | Title | Author(s) |
2018 | Bilayers of janus WSSe: Monitoring the stacking type: Via the vibrational spectrum | Kandemir, Ali; Şahin, Hasan |
Dec-2019 | A computational study of excitation dynamics on semiconductor surfaces | Kaya, Birnur |
Jul-2019 | Effects of manganese promotion on reactants and intermediates of Fischer Tropsch Synthesis on a model cobalt surface-a Density Functional Theory investigation | Gençoğlu, Merve |
Jul-2019 | Electronic struture of organic molecules containing transition-metal atoms | Kandemir, Zafer |
Jul-2019 | Magnetic effect in the biological functioning of hemoglobin: DFT+QMC approach within an effective multi-orbital Anderson impurity model | Mayda, Selma |
Apr-2018 | Ordering of air-oxidized decanethiols on Au(111) | Sotthewes, Kai; Kap, Özlem ; Wu, Hairong; Thompson, Damien; Huskens, Jurriaan; Zandvliet, Harold J. W. |
Jul-2018 | Structural, vibrational, and electronic properties of single-layer hexagonal crystals of group IV and v elements | Özdamar, Burak; Özbal, Gözde; Çınar, Mustafa Neşet; Sevim, Koray ; Kurt, Gizem; Kaya, Birnur; Sevinçli, Haldun |
2024 | Synthesis of acetonitrile from NH<sub>3</sub>/syngas mixtures on molybdenum nitride: Insights into the reaction mechanism | Kizilkaya, Ali Can ; Martinez-Monje, Maria Elena; Prieto, Gonzalo |
2018 | Tuning electronic and magnetic properties of monolayer ?-RuCl3 by in-plane strain | İyikanat, Fadıl; Yağmurcukardeş, Mehmet ; Senger, Ramazan Tuğrul ; Şahin, Hasan |