Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms L Guo, IB Obot, X Zheng, X Shen, Y Qiang, S Kaya, C Kaya Applied surface science 406, 301-306, 2017 | 431 | 2017 |
Determination of corrosion inhibition effects of amino acids: quantum chemical and molecular dynamic simulation study S Kaya, B Tüzün, C Kaya, IB Obot Journal of the Taiwan Institute of Chemical Engineers 58, 528-535, 2016 | 323 | 2016 |
A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron Ş Erdoğan, ZS Safi, S Kaya, DÖ Işın, L Guo, C Kaya Journal of Molecular Structure 1134, 751-761, 2017 | 300 | 2017 |
Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron S Kaya, L Guo, C Kaya, B Tüzün, IB Obot, R Touir, N Islam Journal of the Taiwan Institute of Chemical Engineers 65, 522-529, 2016 | 229 | 2016 |
Anticorrosive effects of some thiophene derivatives against the corrosion of iron: a computational study L Guo, ZS Safi, S Kaya, W Shi, B Tüzün, N Altunay, C Kaya Frontiers in chemistry 6, 155, 2018 | 214 | 2018 |
Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion IB Obot, S Kaya, C Kaya, B Tüzün Physica E: Low-dimensional Systems and Nanostructures 80, 82-90, 2016 | 210 | 2016 |
A new equation for calculation of chemical hardness of groups and molecules S Kaya, C Kaya Molecular Physics 113 (11), 1311-1319, 2015 | 195 | 2015 |
A new method for calculation of molecular hardness: a theoretical study S Kaya, C Kaya computational and theoretical chemistry 1060, 66-70, 2015 | 171 | 2015 |
Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron S Kaya, C Kaya, L Guo, F Kandemirli, B Tüzün, İ Uğurlu, LH Madkour, ... Journal of Molecular Liquids 219, 497-504, 2016 | 154 | 2016 |
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 LH Madkour, S Kaya, L Guo, C Kaya Journal of Molecular Structure 1163, 397-417, 2018 | 150 | 2018 |
Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches S Kaya, P Banerjee, SK Saha, B Tüzün, C Kaya RSC advances 6 (78), 74550-74559, 2016 | 142 | 2016 |
Experimental and theoretical studies for mild steel corrosion inhibition in 1.0 M HCl by three new quinoxalinone derivatives A Tazouti, M Galai, R Touir, ME Touhami, A Zarrouk, Y Ramli, ... Journal of Molecular Liquids 221, 815-832, 2016 | 119 | 2016 |
A simple method for the calculation of lattice energies of inorganic ionic crystals based on the chemical hardness S Kaya, C Kaya Inorganic chemistry 54 (17), 8207-8213, 2015 | 113 | 2015 |
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 LH Madkour, S Kaya, C Kaya, L Guo Journal of the Taiwan Institute of Chemical Engineers 68, 461-480, 2016 | 104 | 2016 |
A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity S Kaya, C Kaya Computational and Theoretical Chemistry 1052, 42-46, 2015 | 102 | 2015 |
Theoretical evaluation of triazine derivatives as steel corrosion inhibitors: DFT and Monte Carlo simulation approaches IB Obot, S Kaya, C Kaya, B Tüzün Research on Chemical Intermediates 42, 4963-4983, 2016 | 97 | 2016 |
Investigation of DNA–RNA molecules for the efficiency and activity of corrosion inhibition by DFT and molecular docking B Tüzün, C Kaya Journal of Bio-and Tribo-Corrosion 4 (4), 69, 2018 | 64 | 2018 |
Maximum hardness and minimum polarizability principles through lattice energies of ionic compounds S Kaya, C Kaya, N Islam Physica B: Condensed Matter 485, 60-66, 2016 | 60 | 2016 |
Resorcinarene‐functionalised imidazolium salts as ligand precursors for palladium‐catalysed Suzuki–Miyaura cross‐couplings N Şahin, D Sémeril, E Brenner, D Matt, İ Özdemir, C Kaya, L Toupet ChemCatChem 5 (5), 1116-1125, 2013 | 39 | 2013 |
Conceptual density functional theoretical investigation of the corrosion inhibition efficiencies of some molecules containing mercapto (-SH) group S Kaya, B Tüzün, C Kaya Current Physical Chemistry 7 (2), 147-153, 2017 | 33 | 2017 |