Prof.Dr. CEMAL KAYA

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

Quantum Chemical Studies on the Corrosion Inhibition of Fe78B13Si9 glassy alloy in Na2SO4 Solution of Some Thiosemicarbazone Derivatives

SARAÇOĞLU M., Elusta M. I. A. , KAYA S. , KAYA C. , KANDEMİRLİ F.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, cilt.13, sa.8, ss.8241-8259, 2018 (SCI İndekslerine Giren Dergi)

Quantum chemical calculations, molecular dynamic (MD) simulations and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 2: Bis-azo dye derivatives

Madkour L. H. , KAYA S. , Guo L., KAYA C.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1163, ss.397-417, 2018 (SCI İndekslerine Giren Dergi)

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

Guo L., Safi Z. S. , KAYA S. , Shi W., TÜZÜN B. , ALTUNAY N. , et al.

FRONTIERS IN CHEMISTRY, cilt.6, 2018 (SCI İndekslerine Giren Dergi)

Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

Guo L., Obot I. B. , Zheng X., Shen X., Qiang Y., KAYA S. , et al.

APPLIED SURFACE SCIENCE, cilt.406, ss.301-306, 2017 (SCI İndekslerine Giren Dergi)

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

ERDOĞAN Ş., Safi Z. S. , KAYA S. , ÖZBAKIR IŞIN D. , Guo L., KAYA C.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1134, ss.751-761, 2017 (SCI İndekslerine Giren Dergi)

New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds

KAYA S. , Chamorro E., Petrov D., KAYA C.

POLYHEDRON, cilt.123, ss.411-418, 2017 (SCI İndekslerine Giren Dergi)

A novel lattice energy calculation technique for simple inorganic crystals

KAYA C. , KAYA S. , Banerjee P.

PHYSICA B-CONDENSED MATTER, cilt.504, ss.127-132, 2017 (SCI İndekslerine Giren Dergi)

An alternative approach on the calculation of cohesive energy density and isothermal compressibility of alkali metal halides

KAYA S. , KAYA C.

MOLECULAR PHYSICS, cilt.115, sa.24, ss.3136-3142, 2017 (SCI İndekslerine Giren Dergi)

Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives

Madkour L. H. , KAYA S. , KAYA C. , Guo L.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, cilt.68, ss.461-480, 2016 (SCI İndekslerine Giren Dergi)

Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron

KAYA S. , Guo L., KAYA C. , TÜZÜN B. , Obot I. B. , Touir R., et al.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, cilt.65, ss.522-529, 2016 (SCI İndekslerine Giren Dergi)

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

KAYA S. , KAYA C. , Guo L., KANDEMİRLİ F., TÜZÜN B. , Ugurlu I., et al.

JOURNAL OF MOLECULAR LIQUIDS, cilt.219, ss.497-504, 2016 (SCI İndekslerine Giren Dergi)

Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion

Obot I. B. , KAYA S. , KAYA C. , TÜZÜN B.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, cilt.80, ss.82-90, 2016 (SCI İndekslerine Giren Dergi)

Reply to the "Comment on "A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity" by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42-46]"

KAYA S. , KAYA C. , Islam N.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.1083, ss.75-76, 2016 (SCI İndekslerine Giren Dergi)

Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches

Obot I. B. , KAYA S. , KAYA C. , TÜZÜN B.

RESEARCH ON CHEMICAL INTERMEDIATES, cilt.42, sa.5, ss.4963-4983, 2016 (SCI İndekslerine Giren Dergi)

Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds

KAYA S. , KAYA C. , Islam N.

PHYSICA B-CONDENSED MATTER, cilt.485, ss.60-66, 2016 (SCI İndekslerine Giren Dergi)

The nucleophilicity equalization principle and new algorithms for the evaluation of molecular nucleophilicity

KAYA S. , KAYA C. , Islam N.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.1080, ss.72-78, 2016 (SCI İndekslerine Giren Dergi)

Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches

KAYA S. , Banerjee P., Saha S. K. , TÜZÜN B. , KAYA C.

RSC ADVANCES, cilt.6, sa.78, ss.74550-74559, 2016 (SCI İndekslerine Giren Dergi)

Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study

KAYA S. , TÜZÜN B. , KAYA C. , Obot I. B.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, cilt.58, ss.528-535, 2016 (SCI İndekslerine Giren Dergi)

Copper-Catalysed Allylic Substitution Using 2,8,14,20-Tetrapentylresorcinarenyl-Substituted Imidazolium Salts

Kaloglu M., Sahin N. , Semeril D., Brenner E., Matt D., ÖZDEMİR İ., et al.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, sa.33, ss.7310-7316, 2015 (SCI İndekslerine Giren Dergi)

A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness

KAYA S. , KAYA C.

INORGANIC CHEMISTRY, cilt.54, sa.17, ss.8207-8213, 2015 (SCI İndekslerine Giren Dergi)

A new equation for calculation of chemical hardness of groups and molecules

KAYA S. , KAYA C.

MOLECULAR PHYSICS, cilt.113, sa.11, ss.1311-1319, 2015 (SCI İndekslerine Giren Dergi)

A new method for calculation of molecular hardness: A theoretical study

KAYA S. , KAYA C.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.1060, ss.66-70, 2015 (SCI İndekslerine Giren Dergi)

A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity

KAYA S. , KAYA C.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.1052, ss.42-46, 2015 (SCI İndekslerine Giren Dergi)

Palladium-catalysed Suzuki-Miyaura cross-coupling with imidazolylidene ligands substituted by crowded resorcinarenyl and calixarenyl units

Sahin N. , Semeril D., Brenner E., Matt D., KAYA C. , Toupet L.

TURKISH JOURNAL OF CHEMISTRY, cilt.39, sa.6, ss.1171-1179, 2015 (SCI İndekslerine Giren Dergi)

Subtle Steric Effects in Nickel-Catalysed Kumada-Tamao-Corriu Cross-Coupling Using Resorcinarenyl-Imidazolium Salts

Sahin N. , Semeril D., Brenner E., Matt D., ÖZDEMİR İ., Kaya C. , et al.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, cilt.2013, sa.20, ss.4443-4449, 2013 (SCI İndekslerine Giren Dergi)

Resorcinarene-Functionalised Imidazolium Salts as Ligand Precursors for Palladium-Catalysed SuzukiMiyaura Cross-Couplings

Sahin N. , Semeril D., Brenner E., Matt D., ÖZDEMİR İ., KAYA C. , et al.

CHEMCATCHEM, cilt.5, sa.5, ss.1116-1125, 2013 (SCI İndekslerine Giren Dergi)

Synthesis and use of trans-dichlorido-tetrakis-(N-R-imidazole)nickel(II) complexes in Kumada-Tamao-Corriu cross-coupling reactions

Sahin N. , El Moll H., Semeril D., Matt D., ÖZDEMİR İ., KAYA C. , et al.

POLYHEDRON, cilt.30, sa.12, ss.2051-2054, 2011 (SCI İndekslerine Giren Dergi)

Diğer Dergilerde Yayınlanan Makaleler

New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure

Alaoui K., El Kacimi Y., Galai M., Serrar H., Touir R., KAYA S. , et al.

INTERNATIONAL JOURNAL OF INDUSTRIAL CHEMISTRY, cilt.11, sa.1, ss.23-42, 2020 (ESCI İndekslerine Giren Dergi)

A New Method for Analyzing the Force Constants of Tricarbonyl Complexes with CS Symmetry

ÜSTÜN E., KAYA C.

Ordu University Journal of Science and Technology, 2018 (Diğer Kurumların Hakemli Dergileri)

Derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series

KAYA S. , KAYA C.

Journal of Physical and Theoretical Chemistry, ss.155-163, 2015 (Diğer Kurumların Hakemli Dergileri)

Prof.Dr. CEMAL KAYA

Yayınlar & Eserler

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

Quantum Chemical Studies on the Corrosion Inhibition of Fe78B13Si9 glassy alloy in Na2SO4 Solution of Some Thiosemicarbazone Derivatives

Quantum chemical calculations, molecular dynamic (MD) simulations and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 2: Bis-azo dye derivatives

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds

A novel lattice energy calculation technique for simple inorganic crystals

An alternative approach on the calculation of cohesive energy density and isothermal compressibility of alkali metal halides

Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives

Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion

Reply to the "Comment on "A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity" by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42-46]"

Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches

Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds

The nucleophilicity equalization principle and new algorithms for the evaluation of molecular nucleophilicity

Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches

Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study

Copper-Catalysed Allylic Substitution Using 2,8,14,20-Tetrapentylresorcinarenyl-Substituted Imidazolium Salts

A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness

A new equation for calculation of chemical hardness of groups and molecules

A new method for calculation of molecular hardness: A theoretical study

A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity

Palladium-catalysed Suzuki-Miyaura cross-coupling with imidazolylidene ligands substituted by crowded resorcinarenyl and calixarenyl units

Subtle Steric Effects in Nickel-Catalysed Kumada-Tamao-Corriu Cross-Coupling Using Resorcinarenyl-Imidazolium Salts

Resorcinarene-Functionalised Imidazolium Salts as Ligand Precursors for Palladium-Catalysed SuzukiMiyaura Cross-Couplings

Synthesis and use of trans-dichlorido-tetrakis-(N-R-imidazole)nickel(II) complexes in Kumada-Tamao-Corriu cross-coupling reactions

Calculating the CO-factored force constants of tricarbonyl complexes with C-s symmetry

The Nature of the Crustal Structure of the Eastern Anatolian Plateau, Turkey

Deep crustal structure of northwestern part of Turkey

A new approach to predicting the carbonyl stretching frequencies of Co-2(CO)(8) with D-3d symmetry

Force constant calculations for Hg[CO(CO)(4)](2) frorn the CO-factored force field

Diğer Dergilerde Yayınlanan Makaleler

New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure

A New Method for Analyzing the Force Constants of Tricarbonyl Complexes with CS Symmetry

Derivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series