Alimet Sema Özen

Akademik Profiller

1. 1
   Combined DFT and ionic model computational study of the effect of alkali metal cations on the structure, bonding and properties of molten cryolites, M3AlF6 (M = li, Na, K, Rb, and Cs)Physics and Chemistry of Liquids
   2024
2. 2
   Dissolution of alumina in cryolite melts: a conceptual DFT studyTurkish Journal of Physics
   2022
3. 3
   Structure and bonding in cryolitic melts a combined study by density functional theory and ionic model calculationsJournal of Molecular Liquids
   2022
4. 4
   Chemical Reactivity Perspective into the Group 2B Metals HalidesJournal of Physical Chemistry A
   2016
5. 5
   Structure of trimers of group-2B metal dihalides from relativistic density-functional calculationsPhysics and Chemistry of Liquids
   2015
6. 6
   Computational insight into the explosive detection mechanisms in silafluorene- and silole-containing photoluminescent polymersJournal of Physical Chemistry C
   2014
7. 7
   Detection of nitroaromatic explosives based on fluorescence quenching of silafluorene- and silole-containing polymers: A time-dependent density functional theory studyJournal of Physical Chemistry C
   2014
8. 8
   The origins of tetrahedral coordination in molten and glassy ZnCl 2 and other group-2B metal dihalidesPhysics Letters, Section A: General, Atomic and Solid State Physics
   2014
9. 9
   Static and dynamic structure of monomers, dimers and trimers of HgCl 2 from density-functional calculationsEuropean Physical Journal D
   2012
10. 10
    Peripheral and structural effects on the band gap of acceptor-donor type conducting polymers containing pendant bisfulleroid groupsJournal of Physical Chemistry C
    2011

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