Prof. Dr. ALİMET SEMA ÖZEN

Yayın Ağı

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

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)

Özen A. S., Akdeniz Z.

Physics and Chemistry of Liquids , 2024 (SCI-Expanded)

Structure and bonding in cryolitic melts a combined study by density functional theory and ionic model calculations

Sema Özen A. S., Akdeniz Z.

Journal of Molecular Liquids , cilt.368, 2022 (SCI-Expanded)

Chemical Reactivity Perspective into the Group 2B Metals Halides

Özen A. S., Akdeniz Z.

Journal of Physical Chemistry A , cilt.120, sa.25, ss.4401-4407, 2016 (SCI-Expanded)

Structure of trimers of group-2B metal dihalides from relativistic density-functional calculations

Özen A. S., Akdeniz Z., Pastore G., Ruberto R., Tosi M.

Physics and Chemistry of Liquids , cilt.53, sa.1, ss.1-9, 2015 (SCI-Expanded)

Detection of nitroaromatic explosives based on fluorescence quenching of silafluorene- and silole-containing polymers: A time-dependent density functional theory study

Dedeoglu B., Monari A., Etienne T., Aviyente V., Özen A. S.

Journal of Physical Chemistry C , cilt.118, sa.41, ss.23946-23953, 2014 (SCI-Expanded)

Computational insight into the explosive detection mechanisms in silafluorene- and silole-containing photoluminescent polymers

Dedeoǧlu B., Aviyente V., Özen A. S.

Journal of Physical Chemistry C , cilt.118, sa.12, ss.6385-6397, 2014 (SCI-Expanded)

The origins of tetrahedral coordination in molten and glassy ZnCl 2 and other group-2B metal dihalides

Özen A. S., Akdeniz Z., Ruberto R., Pastore G., Tosi M.

Physics Letters, Section A: General, Atomic and Solid State Physics , cilt.378, sa.4, ss.431-433, 2014 (SCI-Expanded)

Static and dynamic structure of monomers, dimers and trimers of HgCl 2 from density-functional calculations

Ruberto R., Pastore G., Özen A. S., Akdeniz Z., Tosi M.

European Physical Journal D , cilt.66, sa.9, 2012 (SCI-Expanded)

Peripheral and structural effects on the band gap of acceptor-donor type conducting polymers containing pendant bisfulleroid groups

Özen A. S.

Journal of Physical Chemistry C , cilt.115, sa.50, ss.25007-25018, 2011 (SCI-Expanded)

Mapping and reverse-mapping of the morphologies for a molecular understanding of the self-assembly of fluorinated block copolymers

Kacar G., Atilgan C., Özen A. S.

Journal of Physical Chemistry C , cilt.114, sa.1, ss.370-382, 2010 (SCI-Expanded)

Effect of cooperative hydrogen bonding in azo-hydrazone tautomerism of azo dyes

Özen A. S., Doruker P., Aviyente V.

Journal of Physical Chemistry A , cilt.111, sa.51, ss.13506-13514, 2007 (SCI-Expanded)

Noncovalent intramolecular interactions in the monomers and oligomers of the acceptor and donor type of low band gap conducting polymers

Özen A. S., Atilgan C., Sonmez G.

Journal of Physical Chemistry C , cilt.111, sa.44, ss.16362-16371, 2007 (SCI-Expanded)

Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors

Özen A. S., De Proft F., Aviyente V., Geerlings P.

Journal of Physical Chemistry A , cilt.110, sa.17, ss.5860-5868, 2006 (SCI-Expanded)

Complete mapping of the morphologies of some linear and graft fluorinated co-oligomers in an aprotic solvent by dissipative particle dynamics

Özen A. S., Sen U., Atilgan C.

Journal of Chemical Physics , cilt.124, sa.6, 2006 (SCI-Expanded)

A quantum mechanical approach to the kinetics of the hydrogen abstraction reaction H2O2 + ̇OH → HO2 + H2O

Atadinç F., Günaydin H., Özen A. S., Aviyente V.

International Journal of Chemical Kinetics , cilt.37, sa.8, ss.502-514, 2005 (SCI-Expanded)

Experimental and modeling approach to decolorization of azo dyes by ultrasound: Degradation of the hydrazone tautomer

Özen A. S., Aviyente V., Tezcanli-Güyer G., Ince N. H.

Journal of Physical Chemistry A , cilt.109, sa.15, ss.3506-3516, 2005 (SCI-Expanded)

Modeling the substituent effect on the oxidative degradation of azo dyes

Özen A. S., Aviyente V., De Proft F., Geerlings P.

Journal of Physical Chemistry A , cilt.108, sa.28, ss.5990-6000, 2004 (SCI-Expanded)

Modeling the oxidative degradation of azo dyes: A density functional theory study

Özen A. S., Aviyente V., Klein R. A.

Journal of Physical Chemistry A , cilt.107, sa.24, ss.4898-4907, 2003 (SCI-Expanded)

A computational study of the Wallach rearrangement

ÖZEN A. S., ERDEM S., AVİYENTE V.

STRUCTURAL CHEMISTRY , cilt.9, sa.1, ss.15-25, 1998 (SCI-Expanded)

Diğer Dergilerde Yayınlanan Makaleler

Dissolution of alumina in cryolite melts: a conceptual DFT study

Özen A. S., Akdenız Z.

Turkish Journal of Physics , cilt.46, sa.6, ss.228-238, 2022 (ESCI)