| | | | |
| Synthesis, structural, spectroscopic (NMR, FT-IR and UV–Vis), NLO, in silico (ADMET and molecular docking) and DFT investigations of a flavonol derivative 2-(4-chlorophenyl)-7-fluoro-3-hydroxy-4H-chromen-4-one | 15.02.2025 | [Web Link] | | |
| Experimental and Theoretical Approaches to Structural, Spectroscopic, Electronic and NLO Properties of a Herbicide Fentrazamide | 05.02.2025 | [Web Link] | | |
| Structural, vibrational, electronic, NLO and molecular docking analyses of two novel Cu(II) and Pd(II) complexes with pyridine and oxadiazole coordination | 01.10.2024 | [Web Link] | | |
| Crystal Structure, Vibrational Analysis, Electronic Properties, Static and Dynamic NLO Response and Molecular Docking Study of Oxadiazole/Pyridine-Based Zn(II) complex | 05.01.2024 | [Web Link] | | |
| Synthesis, structural, spectral, antioxidant, bioactivity and molecular docking investigations of a novel triazole derivative | 19.08.2022 | [Web Link] | | |
| Structural, spectral, bioactivity, antioxidant and molecular docking (with SARS-CoV-2) analyses on a new synthesized thiosemicarbazide derivative | 15.08.2022 | [Web Link] | | |
| Tautomeric, Spectroscopic, Electronic and NLO Analyses of Purpald (4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole) | 17.06.2022 | [Web Link] | | |
| Quantum computational, Spectroscopic Investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with Different Solvents, Molecular Docking and Drug-Likeness Researches | 05.04.2022 | [Web Link] | | |
| Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide | 28.03.2022 | [Web Link] | | |
| Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterizations and quantum computational assessments of 1‑hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one | 05.02.2022 | [Web Link] | | |
| Electrical, photodiode, and DFT studies of newly synthesized π-conjugated BODIPY dye-based Au/BOD-Dim/n-Si device | 01.08.2021 | [Web Link] | | |
| Analysis of illumination dependent electrical characteristics of α-styryl substituted BODIPY dye-based hybrid heterojunction | 25.06.2021 | [Web Link] | | |
| Structural, Bioactivity, Molecular Docking, Spectroscopicand Electronic Properties of a Synthesized Meldrum’s AcidDerivative | 17.05.2021 | [Web Link] | | |
| Computational and experimental investigations of a cyano group containing novel small molecule organic semiconductor | 04.05.2021 | [Web Link] | | |
| Antiproliferative Properties and Structural Analysis of Newly Synthesized Schiff Bases Bearing Pyrazole Derivatives and Molecular Docking Studies | 28.04.2021 | [Web Link] | | |
| Synthesis, Dielectric Properties, Molecular Docking and ADME studies of Pyrrole-3-ones | 23.04.2021 | [Web Link] | | |
| Structural, spectral, electronic, and molecular docking investigations on N,N‐dimethyl‐2‐[(1E)‐({[(methylsulfanyl)methanethioyl]amino}imino)methyl]aniline | 24.01.2021 | [Web Link] | | |
| Structural, spectroscopic, and theoretical investigations of (E)–methyl–3–(3,5–di–tert–butyl–2–hydroxybenzylideneamino)–4–methylbenzoate | 23.01.2021 | [Web Link] | | |
| Spectroscopic and Computational Analysis of 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]-phenyl Naphthalene-2-sulfonate | 31.12.2020 | [Web Link] | | |
| Antiproliferative-antimicrobial properties and structural analysis of newly synthesized Schiff bases derived from some 1,3,4-thiadiazole compounds | 05.11.2020 | [Web Link] | | |
| Syntheses of novel 2-oxo-1,2-dihydroquinoline derivatives: Molecular and crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies and density functional theory calculations | 05.10.2020 | [Web Link] | | |
| Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, and quantum computational evaluation of (E)-2-(((4-bromophenyl)imino)methyl)-6-methylphenol | 01.09.2020 | [Web Link] | | |
| DFT, molecular docking and experimental FT-IR, laser-Raman, NMR and UV investigations on a potential anticancer agent containing triazole ring system | 05.07.2020 | [Web Link] | | |
| Spectral, DFT/B3LYP and Molecular Docking Analyses on Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)pent-4-enoate | 15.04.2020 | [Web Link] | | |
| A new series of sulfa drugs containing pyrazolyl acylthiourea moiety: Synthesis, experimental and theoretical spectral characterization and molecular docking studies | 15.03.2020 | [Web Link] | | |
| Hirshfeld Surface analysis, spectroscopic, biological studies and molecular docking of (4E)-4-((naphthalen-2-yl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one | 15.02.2020 | [Web Link] | | |
| Synthesis, spectroscopic characterization, DFT computations, nonlinear optical profile and molecular docking study of a novel chalcone derivative | 15.02.2020 | [Web Link] | | |
| Crystal structure, Hirshfeld surface, spectroscopic analyses, electronic properties, NLO profile and thermochemical study of an antispasmodic agent trimebutine | 05.01.2020 | [Web Link] | | |
| Molecular docking, Hirshfeld surface analysis and spectroscopic investigations of 1-(adamantan-1-yl)-3-(4-fluorophenyl)thiourea: A potential bioactive agent | 16.11.2019 | [Web Link] | | |
| Hirshfeld Surface, Molecular Docking Study, Spectroscopic Characterization and NLO Profile of 2‐Methoxy‐4,6‐Diphenylnicotinonitrile | 05.09.2019 | [Web Link] | | |
| Combined experimental and theoretical investigations on a half-sandwich organometallic Os(II) complex | 15.07.2019 | [Web Link] | | |
| Molecular docking and vibrational spectroscopy studies of (E)-N′-hydroxy-1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide | 15.05.2019 | [Web Link] | | |
| Synthesis, Experimental and Theoretical Characterization of Novel Pyrimidine‐5‐Carboxamides | 25.04.2019 | [Web Link] | | |
| Crystal structure, spectroscopic characterization, DFT computations and molecular docking study of a synthesized Zn(II) complex | 19.03.2019 | [Web Link] | | |
| Structural, spectroscopic, radical scavenging activity, molecular docking and DFT studies of a synthesized Schiff base compound | 05.03.2019 | [Web Link] | | |
| FT-IR, Raman, NMR, and DFT, TD-DFT/B3LYP Investigations of 1-(Benzyloxy)Urea | 01.03.2019 | [Web Link] | | |
| Structural, Spectroscopic, Electronic and Molecular Docking Studies on (11R,12 S)‐16‐Aminotetracyclo[6.6.2.02,7.09,14]hexadeca‐2(7),3,5,9(14),10,12‐hexaen‐15‐ol | 18.01.2019 | [Web Link] | | |
| Synthesis, spectroscopic properties and DFT studies of copper(II) complex of (E)-1-((2,4-dichlorophenylimino)methyl)naphthalen-2-ol | 01.01.2019 | [Web Link] | | |
| Spectroscopic characterization and density functional studies of new thiadiazole 1,1-dioxide compounds | 15.12.2018 | [Web Link] | | |
| Experimental and theoretical investigations on structural, spectroscopic, electronic and thermodynamic properties of (adamantan-1-yl)(phenylsulfanyl)methanone | 05.12.2018 | [Web Link] | | |
| Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide | 05.11.2018 | [Web Link] | | |
| Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores | 05.11.2018 | [Web Link] | | |
| Structural, spectroscopic and quantum chemical studies on copper(II) complex of 4-ethoxy-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone | 05.11.2018 | [Web Link] | | |
| 4‐[(1, 3‐Dioxoisoindolin‐2‐yl)methyl]benzenesulfonamide: Full Structural and Spectroscopic Characterization and Molecular Docking with Carbonic Anhydrase II | 21.09.2018 | [Web Link] | | |
| Spectroscopic (FT-IR, Laser-Raman and NMR) and conformational analysis on novel pyrazole β-keto ester compound | 05.09.2018 | [Web Link] | | |
| Indoor and tap water radon (222Rn) concentration measurements at Giresun University campus areas | 01.09.2018 | [Web Link] | | |
| Experimental (FT-IR, Laser-Raman and NMR) and theoretical comparative study on 2-benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile, a potential bioactive agent | 01.08.2018 | [Web Link] | | |
| New bis 1,3,4-oxadiazole derivatives: syntheses, characterizations, computational studies, and antioxidant activities | 30.07.2018 | [Web Link] | | |
| FT-IR, Raman, and NMR Spectroscopy and DFT Theory of Glimepiride Molecule as a Sulfonylurea Compound | 01.07.2018 | [Web Link] | | |
| Spectroscopic investigation of 2-(4-benzoyl-1,5-diphenyl-1H-pyrazol-3-yl)-4H-naphto[2,3-d][1,3]oxazin-4-one molecule | 01.08.2017 | [Web Link] | | |
| Structural, spectroscopic, electronic, nonlinear optical and thermodynamic properties of a synthesized Schiff base compound: A combined experimental and theoretical approach | 05.05.2017 | [Web Link] | | |
| Theoretical, spectroscopic and antioxidant activity studies on (E)-2-[(2-fluorophenylimino)methyl]-4-hydroxyphenol and (E)-2-[(3-fluorophenylimino)methyl]-4-hydroxyphenol compounds | 05.04.2017 | [Web Link] | | |
| Experimental (FT-IR, Laser-Raman and NMR) and theoretical spectroscopic analysis of 3-[(N-methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione | 31.03.2017 | [Web Link] | | |
| Theoretical and spectroscopic (FT-IR, NMR and UV–Vis.) characterizations of 3-p-chlorobenzyl-4-(4-carboxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one molecule | 05.01.2017 | [Web Link] | | |
| Use of azomethine-bridged phenolic metallophthalocyanines for sensitization of TiO2 | 01.01.2017 | [Web Link] | | |
| Thiol–thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV–vis) properties and DFT computations of 5-(3-pyridyl)-4H-1,2,4-triazole-3-thiol molecule | 15.06.2016 | [Web Link] | | |
| Solid state structural and theoretical investigations of a biologically active chalcone | 15.05.2016 | [Web Link] | | |
| Theoretical and experimental investigations of the 2-(4-chlorophenyl)-3-{[5-(2-cyano-2-phenylethenyl)]furan-2-yl}acrylonitrile molecule as a potential acceptor in organic solar cells | 05.05.2016 | [Web Link] | | |
| Spectroscopic (FT–IR and UV–Vis) and theoretical (HF and DFT) investigation of 2-Ethyl-N-[(5-nitrothiophene-2-yl)methylidene]aniline | 15.04.2016 | [Web Link] | | |
| Spectroscopic characterization and quantum chemical computations of the 5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol molecule | 08.01.2016 | [Web Link] | | |
| Spectroscopic (vibrational, NMR and UV–vis.) and quantum chemical investigations on 4-hexyloxy-3-methoxybenzaldehyde | 05.01.2016 | [Web Link] | | |
| Spectroscopic characterization and density functional studies of (Z)-1-[(2-methoxy-5-(trifluoromethyl)phenylamino)methylene]naphthalene-2(1H)-one | 05.10.2015 | [Web Link] | | |
| Molecular structure, spectroscopic characterization and DFT calculations of a novel (Z)-1-[(2-Ethylphenylamino)methylene]naphthalene-2(1H)-one | 15.09.2015 | [Web Link] | | |
| DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol | 05.02.2015 | [Web Link] | | |
| An IR study of 4(3H)-Pyrimidinone in solution adsorbed on NaX, NaY and ZSM-5 zeolites | 01.01.2015 | [Web Link] | | |
| Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions | 10.12.2014 | [Web Link] | | |
| Spectroscopic and quantum chemical studies on bromopyrazone | 10.12.2014 | [Web Link] | | |
| Spectroscopic (FT-IR, Raman, NMR and UV–vis.) and quantum chemical investigations of (E)-3-[4-(pentyloxy)phenyl]-1-phenylprop-2-en-1-one | 05.10.2014 | [Web Link] | | |
| Molecular structure, spectroscopic properties (FT-IR, Micro-Raman, and UV-vis), and DFT calculations of minaprine | 01.07.2014 | [Web Link] | | |
| Study on spectroscopic and quantum chemical calculations of levosimendan | 01.04.2014 | [Web Link] | | |
| The 1-acetyl-3-methyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one molecule investigated by a joint spectroscopic and quantum chemical calculations | 06.01.2014 | [Web Link] | | |
| Analysis of molecular structure, spectroscopic properties (FT-IR, micro-Raman and UV–vis) and quantum chemical calculations of free and ligand 2-thiopheneglyoxylic acid in metal halides (Cd, Co, Cu, Ni and Zn) | 01.12.2013 | [Web Link] | | |
| Crystallographic structure and quantum chemical computations of 1-(3,4-dimethylphenyl)-3-phenyl-5-(4-methoxyphenyl)-2-pyrazoline | 01.12.2013 | [Web Link] | | |
| The molecular structures, vibrational spectroscopies (FT-IR and Raman) and quantum chemical calculations of n-alkyltrimethylammonium bromides | 01.11.2013 | [Web Link] | | |
| FT-IR, Micro-Raman and UV–vis spectroscopic and quantum chemical investigations of free 2,2′-dithiodipyridine and its metal (Co, Cu and Zn) halide complexes | 01.10.2013 | [Web Link] | | |
| Molecular Structure, Spectroscopic Properties and DFT Calculations of 2-(Methylthio)nicotinic Acid | 01.10.2013 | [Web Link] | | |
| The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Micro-Raman, NMR and UV-vis) and DFT Calculations of Antioxidant 3-alkyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one Molecules | 01.06.2013 | [Web Link] | | |
| A study of molecular structure and vibrational spectra of copper(II) halide complex of 2-(2′-thienyl)pyridine | 01.10.2012 | [Web Link] | | |
| Analysis of molecular structure and vibrational spectra of 2-(2′-thienyl)pyridine | 16.11.2011 | [Web Link] | | |
| A study on quantum chemical calculations of 3-, 4-nitrobenzaldehyde oximes | 01.09.2011 | [Web Link] | | |
| Quantum chemical computations of 1,3-phenylenediacetic acid | 01.02.2011 | [Web Link] | | |
| Analysis of molecular structure and vibrational spectra of 1(2H)-phthalazinone | 01.04.2010 | [Web Link] | | |
| Vibrational Analysis of Trimethylphenyl Ammonium Chloride | 01.02.2009 | [Web Link] | | |