Armağan KINAL
Fen Fakültesi, Kimya Bölümü, Fizikokimya Anabilim Dalı
Araştırma alanları: Temel Bilimler, Kimya, Fizikokimya, Fizik, Atom ve Molekül Fiziği, Biyokimya, Hesapsal Kimya, Alkoloidler, Mühendislik ve Teknoloji, Biyoyakıt Teknolojisi
Yayınlar
- 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)
- DFT and QM/MM Study of interactions of NSAIDs and Beta-Blockers with DNA (2025)
- A new derivative of 1-allyl-3-methylimidazolium chloride as ionic liquid compound: Synthesis, physical properties and DFT studies (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)
- C–C coupling formation using nitron complexes (2020)
- Synthesis, characterization and computational investigation of poly(styrene-co-1-methylpyrenyl methacrylate): its efficiency as a macrophotoinitiator (2020)
- Computational study on anti-inflammatory and anti-hypertensive drug molecules interaction with base pairs (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)
- Sterically hindered N-aryl/benzyl substituted piperi doi midazolin-2-ylidene palladium complexes and their catalytic activities (2018)
- The Ring Opening Polymerization of delta-Valerolactone: A Theoretical Study (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)
- Computational Investigation of the complete reaction path of poly l lactide initiated by Tin II 2 ethylhexanoate with DFT methods (2016)
- Theoretical Approach to the SPME Fiber Selectivity for Head Space Determination of Pesticides (2016)
- The Reaction Mechanism of alpha Angelica Lactone Ring Opening Polymerization A Computational Study (2016)
- Experimental and Computatonal Studies of Ring Opening Polymerizaton of alpha angelica lactone with Zinc Acetate (2016)
- Experimental and Computational Studies of Ring Opening Polymerization of alpha angelica lactone with Zinc Acetate (2016)
- The Reaction of alpha Angelica Lactone Ring Opening Polymerization:A Computational Study (2016)
- A DFT and TDDFT investigation of interactions between pyrene and amino acids with cyclic side chains (2016)
- A computational study on carboxymethylation mechanism of gluconate (2015)
- Carbazolo Carbazole A Novel Solar Photo Initiator (2015)
- 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)
- 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)
- Bazı Poliaromatik Hidrokarbonlarla Porfirin Arasındaki Etkileşimlerin DFT Yöntemiyle İncelenmesi (2012)
- A DFT and TD-DFT Study on Non-covalent Interactions of Aromatic Amino Acids with Pyrene (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)
- Photophysical and Computational Investigation of Intermolecular Complexes of Pyrene Derivatives With Phenothiazine And Promazine (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)
- Aminopren ile Fenotiazin ve Promazin Molekülleri Arasındaki Etkileşimlerin Fotofiziksel ve Teorik Yöntemlerle İncelenmesi (2010)
- A DFT and TD-DF1 study on intermolecular charge transfer complexes of pyrene with phenothiazine and promazine (2010)
- Hidroksipren ve Siyanoprenin Bazi Aromatik Aminoasitlerle Etkilesimlerinin Fotofiziksel ve Hesapsal Yöntemlerle Incelenmesi (2010)
- Interactions of Phenothiazine and Promazine with some Pyrene Derivatives (2010)
- Photophysical and Theoretical investigations of pyrene with dopamine, phenothiazine and promazine complexes (2009)
- Pren-Promazin ve Pren-Dopamin Etkileşimlerinin Hesapsal Olarak İncelenmesi (2008)
- Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes (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)
- Investigation of Ground State Interactions of Pyrene With Serotonin and Dopamine by Computational Methods (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)
- Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals (2006)
- Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models (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)