| # | Title | Journal | Year | Citations |
|---|
| 1 | The thermo physical, HOMO, LUMO, Vibrational spectroscopy and QSAR study of morphonium formate and acetate Ionic Liquid Salts using computational method | Turkish Computational and Theoretical Chemistry | 2019 | 22 |
| 2 | An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives | Turkish Computational and Theoretical Chemistry | 2020 | 18 |
| 3 | Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body | Turkish Computational and Theoretical Chemistry | 2020 | 15 |
| 4 | DNA Codon Recognition by a Cubane Wire: In Silico Approach | Turkish Computational and Theoretical Chemistry | 2021 | 14 |
| 5 | Computational determination the reactivity of salbutamol and propranolol drugs | Turkish Computational and Theoretical Chemistry | 2020 | 11 |
| 6 | The effects of protecting and acyl groups on the conformation of benzyl α-L-rhamnopyranosides: An in silico study | Turkish Computational and Theoretical Chemistry | 2021 | 5 |
| 7 | New Organic Materials Based on Thiophene for Photovoltaic Device: Theoretical investigation | Turkish Computational and Theoretical Chemistry | 2018 | 5 |
| 8 | Electronics structure and optical properties of Mg(BiO2)4 and Mg (Bi0.91Ge0.083O2)4: A first principle approach | Turkish Computational and Theoretical Chemistry | 2020 | 5 |
| 9 | Theoretical analysis of ADP molecule in gas phase and aqueous solution: a DFT and PCM/TD-DFT study | Turkish Computational and Theoretical Chemistry | 2022 | 5 |
| 10 | Radiative transition probabilities for 3p63d2 and 3p53d3 transitions in W54+ | Turkish Computational and Theoretical Chemistry | 2018 | 4 |
| 11 | Detemination of The Best Method (HF, MP2 and B3LYP) in Calculation of Chemical Hardness | Turkish Computational and Theoretical Chemistry | 2018 | 3 |
| 12 | Theoretical studies of structural, optic and electronic properties of polypyrrole (PPy) oligomer | Turkish Computational and Theoretical Chemistry | 2018 | 3 |
| 13 | Structural Analysis of Some Pyrrolopyrimidine Derivatives and Examining their Binding Affinity against Cyclooxygenase-2 Enzyme | Turkish Computational and Theoretical Chemistry | 2021 | 3 |
| 14 | Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design of new Yersinia pseudotuberculosis inhibitors | Turkish Computational and Theoretical Chemistry | 2022 | 3 |
| 15 | 2-Phenylethyne-1-Sulfonamide Derivatives as New Drugs Candidates for Heat Shock Protein 70 and Doublecortin-like Kinase | Turkish Computational and Theoretical Chemistry | 2021 | 2 |
| 16 | A theoretical investigation of TNT in different phases by using DFT | Turkish Computational and Theoretical Chemistry | 2019 | 2 |
| 17 | QSAR and Molecular Docking Studies Of novel thiophene, pyrimidine, coumarin, pyrazole and pyridine derivatives as Potential Anti-Breast Cancer Agent. | Turkish Computational and Theoretical Chemistry | 2020 | 2 |
| 18 | Quantitative Structure-Activity Relationships of 1.2.3 Triazole Derivatives as Aromatase Inhibition Activity | Turkish Computational and Theoretical Chemistry | 2020 | 2 |
| 19 | QSAR Studies of amino-pyrimidine derivatives as Mycobacterium tuberculosis Protein Kinase B inhibitors | Turkish Computational and Theoretical Chemistry | 2018 | 2 |
| 20 | Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking | Turkish Computational and Theoretical Chemistry | 2021 | 2 |
| 21 | DFT/TDDFT studies of the structural, electronic, NBO and non-linear optical proper-ties of triphenylamine functionalized tetrathiafulvalene | Turkish Computational and Theoretical Chemistry | 2021 | 2 |
| 22 | A class of two-dimensional WSeTe monolayers under pressures with novel electronic and optical properties | Turkish Computational and Theoretical Chemistry | 2023 | 2 |
| 23 | The effective ethanol rate against the toxicity of ethylene glycol | Turkish Computational and Theoretical Chemistry | 2021 | 1 |
| 24 | Density Functional Theory and Single Crystal X-ray Studies on Some Bis-Chalcone Derivatives | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 25 | An ab initio Study of the amidine formed by tacrine and saccharin: Structural, Electronic and Spectroscopic Investigation | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 26 | A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 27 | MULTIVARIANT QSAR MODEL FOR SOME POTENT COMPOUNDS AS POTENTIAL ANTI-TUMOR INHIBITORS: A COMPUTATIONAL APPROACH | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 28 | Molecular docking study for evaluating the binding mode and interaction of 2, 4-disubstituted quiloline and its derivatives as potent anti-tubercular agents against Lipoate protein B (LipB) | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 29 | Investigation on Molecular Structure, Vibrational Analysis and Thermodynamic Properties of 1-(2,6-dimethylmorpholine-4-yl-methyl)-3-methyl-4-[3-ethoxy-(4-benzenesulfonyloxy)- benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 30 | Structural Characterization, Theoretical Investigation and Hirshfeld Surface Analysis of 2,6-(E,E)-bis((thiophene-2-yl)methylene)cyclohexanone | Turkish Computational and Theoretical Chemistry | 2019 | 1 |
| 31 | A DFT Study of Si Doped Graphene: Adsorption of Formaldehyde and Acetaldehyde | Turkish Computational and Theoretical Chemistry | 2020 | 1 |
| 32 | Quantitative Structure and activity Relationship of 3a, 6a – Dihydro-1H- pyrrolo[ 3,4-c] pyrazole-4,6-dione Derivatives as anti HIV-1 Agents | Turkish Computational and Theoretical Chemistry | 2020 | 1 |
| 33 | IN SILICO STUDY OF APTAMER SPECIFICITY FOR DETECTION OF ADENOSINE TRIPHOSPHATE (ATP) AS BIOSENSOR DEVELOPMENT FOR MITOCHONDRIA DIABETES DIAGNOSIS | Turkish Computational and Theoretical Chemistry | 2023 | 1 |
| 34 | Theoretical Methods for coding a strand of DNA bases and nucleotides with C2Fe+, A DFT study | Turkish Computational and Theoretical Chemistry | 2023 | 1 |
| 35 | Effects of flavonoids on SARS–CoV–2 main protease (6W63): A molecular docking study | Turkish Computational and Theoretical Chemistry | 2023 | 1 |
| 36 | 2-Acetyl-5-chloro-thiophene thiosemicarbazone and its nickel(II) and zinc(II) complexes: Hirshfeld surface analysis and Density Functional Theory calculations for molecular geometry, vibrational spectra and HOMO-LUMO studies | Turkish Computational and Theoretical Chemistry | 2021 | 0 |
| 37 | Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study | Turkish Computational and Theoretical Chemistry | 2018 | 0 |
| 38 | Optimization and Mathematical Modelling of Gallic Acid Extraction and Determination of Diffusion Coefficients | Turkish Computational and Theoretical Chemistry | 2019 | 0 |
| 39 | Structural Parameters, Electronic, Spectroscopic and Nonlinear Optical Theoretical Research of 1-(m-Chlorophenyl)piperazine (mCPP) Molecule | Turkish Computational and Theoretical Chemistry | 2020 | 0 |
| 40 | In Silico study for investigating and predicting the activities of 7-Hydroxy-1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylate Derivatives as Potent Anti-HIV Agents | Turkish Computational and Theoretical Chemistry | 2020 | 0 |
| 41 | Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 42 | Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 43 | A Developed QSPR Model for the Melting Points of Isatin Derivatives | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 44 | Investigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 45 | Computational investigation of the synthesized new indoline-2,3-dione and their derivatives | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 46 | The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study | Turkish Computational and Theoretical Chemistry | 2021 | 0 |
| 47 | Homology Modeling Epitopes of Kirsten Rat Sarcoma (KRAS) G12D, G12V and G12R as Pancreatic Ductal Adenocarcinoma Vaccine Candidates | Turkish Computational and Theoretical Chemistry | 0 | 0 |
| 48 | An in silico investigation of allosteric inhibition potential of Dihydroergotamine against Sars-CoV-2 Main Protease (MPro) | Turkish Computational and Theoretical Chemistry | 2023 | 0 |
| 49 | A theoretical study of oleuropein derivatives as drugs | Turkish Computational and Theoretical Chemistry | 2022 | 0 |
| 50 | Electronic Properties of Poly(N-vinylcarbazole) Using semi-empirical oligomer extrapolation approximations | Turkish Computational and Theoretical Chemistry | 2024 | 0 |
