Browsing by Subject Density Functional Theory

Showing results 1 to 8 of 8
Issue DateTitleAuthor(s)
2018Bilayers of janus WSSe: Monitoring the stacking type: Via the vibrational spectrumKandemir, Ali; Şahin, Hasan 
Dec-2019A computational study of excitation dynamics on semiconductor surfacesKaya, Birnur
Jul-2019Effects of manganese promotion on reactants and intermediates of Fischer Tropsch Synthesis on a model cobalt surface-a Density Functional Theory investigationGençoğlu, Merve
Jul-2019Electronic struture of organic molecules containing transition-metal atomsKandemir, Zafer 
Jul-2019Magnetic effect in the biological functioning of hemoglobin: DFT+QMC approach within an effective multi-orbital Anderson impurity modelMayda, Selma 
Apr-2018Ordering of air-oxidized decanethiols on Au(111)Sotthewes, Kai; Kap, Özlem ; Wu, Hairong; Thompson, Damien; Huskens, Jurriaan; Zandvliet, Harold J. W.
Jul-2018Structural, vibrational, and electronic properties of single-layer hexagonal crystals of group IV and v elementsÖzdamar, Burak; Özbal, Gözde; Çınar, Mustafa Neşet; Sevim, Koray ; Kurt, Gizem; Kaya, Birnur; Sevinçli, Haldun 
2018Tuning electronic and magnetic properties of monolayer ?-RuCl3 by in-plane strainİyikanat, Fadıl; Yağmurcukardeş, Mehmet ; Senger, Ramazan Tuğrul ; Şahin, Hasan