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Alimet Sema Özen
Alimet Sema Özen
Professor of Chemistry, Piri Reis University
Verified email at pru.edu.tr
Title
Cited by
Cited by
Year
Effect of cooperative hydrogen bonding in azo− hydrazone tautomerism of azo dyes
AS Özen, P Doruker, V Aviyente
The Journal of Physical Chemistry A 111 (51), 13506-13514, 2007
942007
Modeling the oxidative degradation of azo dyes: a density functional theory study
AS Özen, V Aviyente, RA Klein
The Journal of Physical Chemistry A 107 (24), 4898-4907, 2003
902003
Noncovalent intramolecular interactions in the monomers and oligomers of the acceptor and donor type of low band gap conducting polymers
AS Özen, C Atilgan, G Sonmez
The Journal of Physical Chemistry C 111 (44), 16362-16371, 2007
822007
Experimental and modeling approach to decolorization of azo dyes by ultrasound: degradation of the hydrazone tautomer
AS Özen, V Aviyente, G Tezcanli-Güyer, NH Ince
The Journal of Physical Chemistry A 109 (15), 3506-3516, 2005
782005
Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors
AS Özen, F De Proft, V Aviyente, P Geerlings
The Journal of Physical Chemistry A 110 (17), 5860-5868, 2006
582006
Mapping and reverse-mapping of the morphologies for a molecular understanding of the self-assembly of fluorinated block copolymers
G Kacar, C Atilgan, AS Ozen
The Journal of Physical Chemistry C 114 (1), 370-382, 2010
522010
Modeling the substituent effect on the oxidative degradation of azo dyes
AS Özen, V Aviyente, F De Proft, P Geerlings
The Journal of Physical Chemistry A 108 (28), 5990-6000, 2004
522004
Complete mapping of the morphologies of some linear and graft fluorinated co-oligomers in an aprotic solvent by dissipative particle dynamics
A Sema Özen, U Sen, C Atilgan
The Journal of chemical physics 124 (6), 2006
422006
Detection of nitroaromatic explosives based on fluorescence quenching of silafluorene-and silole-containing polymers: A time-dependent density functional theory study
B Dedeoglu, A Monari, T Etienne, V Aviyente, AS Ozen
The Journal of Physical Chemistry C 118 (41), 23946-23953, 2014
352014
Computational insight into the explosive detection mechanisms in silafluorene-and silole-containing photoluminescent polymers
B Dedeoglu, V Aviyente, AS Ozen
The Journal of Physical Chemistry C 118 (12), 6385-6397, 2014
192014
A quantum mechanical approach to the kinetics of the hydrogen abstraction reaction H2O2 + OH → HO2 + H2O
F Atadinc, H Günaydin, AS Özen, V Aviyente
International journal of chemical kinetics 37 (8), 502-514, 2005
152005
Static and dynamic structure of monomers, dimers and trimers of HgCl2 from density-functional calculations
R Ruberto, G Pastore, AS Özen, Z Akdeniz, MP Tosi
The European Physical Journal D 66, 1-8, 2012
132012
A computational study of the Wallach rearrangement
AS Özen, SS Erdem, V Aviyente
Structural Chemistry 9, 15-25, 1998
131998
The origins of tetrahedral coordination in molten and glassy ZnCl2 and other group-2B metal dihalides
AS Özen, Z Akdeniz, R Ruberto, G Pastore, MP Tosi
Physics Letters A 378 (4), 431-433, 2014
122014
Peripheral and structural effects on the band gap of acceptor–donor type conducting polymers containing pendant bisfulleroid groups
AS Özen
The Journal of Physical Chemistry C 115 (50), 25007-25018, 2011
72011
Structure of trimers of group-2B metal dihalides from relativistic density-functional calculations
AS Özen, Z Akdeniz, G Pastore, R Ruberto, MP Tosi
Physics and Chemistry of Liquids 53 (1), 1-9, 2015
62015
Chemical Reactivity Perspective into the Group 2B Metals Halides
AS Özen, Z Akdeniz
The Journal of Physical Chemistry A 120 (25), 4401-4407, 2016
42016
Structure and bonding in cryolitic melts a combined study by density functional theory and ionic model calculations
AS Özen, Z Akdeniz
Journal of Molecular Liquids 368, 120771, 2022
22022
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 …
AS Özen, Z Akdeniz
Physics and Chemistry of Liquids 63 (1), 31-44, 2025
12025
Dissolution of alumina in cryolite melts: a conceptual DFT study
AS Özen, Z Akdeniz
Turkish Journal of Physics 46 (6), 228-238, 2022
12022
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Articles 1–20