Armağan KINAL

Fen Fakültesi, Kimya Bölümü, Fizikokimya Anabilim Dalı

Research areas: Natural Sciences, Chemistry, Physical Chemistry, Physics, Atomic and Molecular Physics, Biochemistry, Computational Chemistry, Alcaloides, Engineering and Technology, Biofuels Technology

Publications

Computational Insights into the Thermal Stability and Degradation Pathways of Poly(butylene adipate-co-terephthalate) (2026)
Çeşitli metallerle dekore edilmiş alüminyum katkılı altıgen bor nitrür nano levhaların hidrojen depolama özelliklerinin hesaplamalı incelenmesi (2026)
A new derivative of 1-allyl-3-methylimidazolium chloride as ionic liquid compound: Synthesis, physical properties and DFT studies (2025)
DFT and QM/MM Study of interactions of NSAIDs and Beta-Blockers with DNA (2025)
Potansiyel bir hidrojen depolama iyonik sıvısı olarak guanidinyum oktahidrotriboratın yapısal ve elektronik özelliklerinin hesapsal karakterizasyonu (2025)
Investigation of initiator metal efficiency in the ring-opening polymerization of lactones: an experimental and computational study (2022)
Computational Study on Pazopanib and Pemetrexed Anticancer Drug Molecules Interacting with a Small Peptide Link (2021)
Computational Study on Pazopanib and Pemetrexed Anticancer Drug Molecules Interacting with a Small Peptide Link (2020)
Computational study on anti-inflammatory and anti-hypertensive drug molecules interaction with base pairs (2020)
Synthesis, characterization and computational investigation of poly(styrene-co-1-methylpyrenyl methacrylate): its efficiency as a macrophotoinitiator (2020)
C–C coupling formation using nitron complexes (2020)
Determination of Gluconate Binding Properties on Magnetite Surface and Investigation of Carboxymethylation and Hydrazination Mechanisms of the Gluconated Magnetite Surface: A Computational Study (2020)
THE EVOLUATION OF GREEN UNIVERSITY RANKING- A CASE STUDY EGE UNIVERSITY, GREENMETRIC 2018 (2019)
Synthesis, spectroscopic characterization and structural investigation of new charge-transfer complexes of piroxicam with 2,3-dichloro-5,6-dicyano-1,4-benzoqu none and chloranilic acid: Experimental and theoretical studies (2019)
Ring Opening Polymerization of delta-Valerolactone with Tin Acetate and Lead Acetate (2018)
Determination of the effects of electronic properties of several metal-containing initiator complexes on polymer molecular weights in the ring opening polymerization of ?-valerolactone: A computational and experimental study (2018)
The Ring Opening Polymerization of delta-Valerolactone: A Theoretical Study (2018)
Sterically hindered N-aryl/benzyl substituted piperi doi midazolin-2-ylidene palladium complexes and their catalytic activities (2018)
Computational determination of ring opening polymerization reaction mechanism of alpha-angelica lactone (2018)
COMPUTATIONAL STUDY ON THE SPME FIBER SELECTIVITY FOR HEAD SPACE GAS CHROMATOGRAPHIC DETERMINATION OF COMMONLY USED PESTICIDES (2017)
Computational investigation and comparison of hydrogen storage properties of B24N24 and Al24N24 nanocages (2017)
Experimental and Computatonal Studies of Ring Opening Polymerizaton of alpha angelica lactone with Zinc Acetate (2016)
The Reaction Mechanism of alpha Angelica Lactone Ring Opening Polymerization A Computational Study (2016)
Computational Investigation of the complete reaction path of poly l lactide initiated by Tin II 2 ethylhexanoate with DFT methods (2016)
The Reaction of alpha Angelica Lactone Ring Opening Polymerization:A Computational Study (2016)
Theoretical Approach to the SPME Fiber Selectivity for Head Space Determination of Pesticides (2016)
Experimental and Computational Studies of Ring Opening Polymerization of alpha angelica lactone with Zinc Acetate (2016)
A DFT and TDDFT investigation of interactions between pyrene and amino acids with cyclic side chains (2016)
İstatistiksel Mekanik (2015)
A Computational Study on Optoelectronic Properties of 5 11 bis 2 4 dibutylamino phenyl ethynyl indeno 1 2 b fluorene 6 12 dione (2015)
A computational study on carboxymethylation mechanism of gluconate (2015)
Carbazolo Carbazole A Novel Solar Photo Initiator (2015)
Computational Determination of Endohedral Hydrogen Storage Capacity of Small Boron Nitride Nanocages (2015)
Computational Investigation of Interactions of Pemetrexed and Pazopanib Anticancer Drug Molecules Conjugated with Small Peptide Link with Magnetite Fe3O4 Surface (2015)
Accurate prediction of hydrogen storage capacity of small boron nitride nanocages by dispersion corrected semi-empirical PM6-DH2 method (2015)
Computational investigation of hydrogen storage capacity of boron nitride nanocages by newly developed PM7 method (2015)
Interaction of gluconate derivatives with magnetite (Fe3O4) surface in ?-D-glucose coated iron oxide nanoparticles: A DFT study (2014)
Performance of PM6 DH2 and PM7 Methods on Determination of Hydrogen Storage Capacity of Small B24N24 Nanocage (2014)
Computational Investigation of Interaction of Gluconate Derivatives with Magnetite (Fe3O4) Surface in ?-D-glucose coated iron oxide nanoparticles (2014)
Electronic Nature of Pyrene-Aromatic Amino Acid Complexes (2014)
Stability of Endohedral Hydrogen Doped Boron Nitride Nanocages: A Density Functional Theory Study (2014)
A DFT and TD-DFT Study on Non-covalent Interactions of Aromatic Amino Acids with Pyrene (2012)
Bazı Poliaromatik Hidrokarbonlarla Porfirin Arasındaki Etkileşimlerin DFT Yöntemiyle İncelenmesi (2012)
Low energy electron induced dissociation in condensed diallyl disulfide (2012)
Porfrin ile Pren ve Bazı Türevlerinin Oluşturduğu Donör-Akseptör Komplekslerinin Temel ve Uyarılmış Halde Hesapsal Olarak İncelenmesi (2011)
Aminopren ile Fenotiazin ve Promazin Molekülleri Arasındaki Etkileşimlerin Fotofiziksel ve Teorik Yöntemlerle İncelenmesi (2010)
Computational Investigatıon of Ground State Interactions of Pyrene And Aminopyrene With Phenothiazine And Promazine (2010)
Photophysical and Computational Investigation of Intermolecular Pyrene Complexes with Phenothiazine And Promazine (2010)
Photophysical and Computational Investigation of Intermolecular Complexes of Pyrene Derivatives With Phenothiazine And Promazine (2010)
Interactions of Phenothiazine and Promazine with some Pyrene Derivatives (2010)
Hidroksipren ve Siyanoprenin Bazi Aromatik Aminoasitlerle Etkilesimlerinin Fotofiziksel ve Hesapsal Yöntemlerle Incelenmesi (2010)
A DFT and TD-DF1 study on intermolecular charge transfer complexes of pyrene with phenothiazine and promazine (2010)
Photophysical and Theoretical investigations of pyrene with dopamine, phenothiazine and promazine complexes (2009)
Pren-Promazin ve Pren-Dopamin Etkileşimlerinin Hesapsal Olarak İncelenmesi (2008)
Investigation of Ground State Interactions of Pyrene With Serotonin and Dopamine by Computational Methods (2008)
A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for representative cuts of the H2S((1)A ') potential energy surface (2008)
Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes (2008)
Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: A completely renormalized coupled-cluster study (2007)
Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models (2006)
Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals (2006)
Noniterative coupled-cluster methods for bond breaking, diradicals, and excited electronic states (2005)
Is the mechanism of the [2+2]cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study (2005)
Competing pathways in the [2+2] cycloadditions of cyclopentyne and benzyne. A DFT and ab initio study (2004)
Isomerizations of bicyclo[2.1.0]pent-2-ene and tricyclo[2.1.0.0(2,5)]pentane into cyclopenta-1,3-diene: A computational study by DFT and high-level ab initio methods (2003)
Bromination of 1-cyclopent-1-en-1-ylbenzene and 1-(5-bromocyclopent-1-en-1-yl)benzene and theoretical investigation of the products (2003)
Synthesis of new substituted dihydroheptalene derivatives: SiO2- and base-catalyzed rearrangement of dimethyl trans-3,8-dihydroheptalene-3,8-dicarboxylate (2001)
Effect of doping on the ground-state spin of stacked organometallic ferromagnets (1999)
Ground state and excitations of the 1D Kondo-like lattice model for doped organometallic ferromagnets (1999)