All Stories

  1. Frequency-dependent optical response and selective adsorptive properties of MOF-199: insight from the DFT, Monte Carlo and molecular dynamics simulations

    Article • Chemical Papers, February 2026, Springer Science + Business Media

    Nathanael Ojo

  2. Insights from computational approach into dynamic NLO and electronic properties of N’-(4-X-3,5-dimethoxybenzylidene)-1 H-indole-3-carbohydrazides

    Article • Discover Chemistry, December 2025, Springer Science + Business Media

    Nathanael Ojo

  3. Synthesis, Electronic, Dynamic Optical and Adsorption (Monte Carlo and Molecular Dynamics) Properties of Cadmium Picolinate Coordination Polymer-2 (Cp-2)

    Article • Journal of Computational Biophysics and Chemistry, May 2025, World Scientific Pub Co Pte Lt

    Nathanael Ojo

  4. Facile synthesis, characterization, molecular and dynamic optical properties of metronidazole and sulfamethoxazole adducts of tricarbonyl(1-5-η-2-methoxycyclohexadienylium)iron

    Article • Discover Chemistry, April 2025, Springer Science + Business Media

    Nathanael Ojo

  5. Insights into the optoelectronic, quantum chemical, NBO and dynamic nonlinear optical properties of meso-BODIPY dyes

    Article • Scientific African, March 2025, Elsevier

    Nathanael Ojo

  6. Thermally Induced Solvent-Based Synthesis of Copper and Barium Metal–Organic Frameworks of Isonicotinic Acid: Characterization and Quantum Chemical Analysis of Electronic, Static, and Dynamic Optical Properties

    Article • Chemistry Africa, January 2025, Springer Science + Business Media

    Nathanael Ojo

  7. N-(1H-Benzo[d]imidazol-2-yl)-1-(3-substituted phenyl) methanimines as optoelectronic and nonlinear optical materials: spectroscopic and computational approaches

    Article • Chemical Papers, September 2024, Springer Science + Business Media

    Nathanael Ojo

  8. Insight into the corrosion inhibiting potential and anticancer activity of 1-(4-methoxyphenyl)-5-methyl-N’-(2-oxoindolin-3-ylidene)-1H-1,2,3-triazole-4-carbohydrazide via computational approaches

    Article • Journal of Biomolecular Structure and Dynamics, September 2023, Taylor & Francis

    Nathanael Ojo

  9. Synthesis, Characterization, Density Functional Theory, Monte Carlo, and Molecular Dynamics Simulations of [Ni(Ii)(Tpy)2] Metal Organic Framework and Congo Red Dye Application

    Article • Journal of Computational Biophysics and Chemistry, August 2023, World Scientific Pub Co Pte Lt

    Nathanael Ojo

  10. Adsorption, synergistic inhibitive potentials and quantum chemical studies of (E)-1-(2-((2,4-dimethoxyphenyl)diazenyl)phenyl)-2-hydroxy-2-phenylethan-1-one as mild steel anticorrosion agent in acidic medium

    Article • Results in Surfaces and Interfaces, August 2023, Elsevier

    Nathanael Ojo

  11. Studies on the effect of solvents on the electronic absorption spectra of 4-phenylmorpholine and 1-phenylpyrrole

    Article • Scientia Africana, June 2023, African Journals Online (AJOL)

    Nathanael Ojo

  12. Alkyne-Allene Transformation: Density Functional and in silico Studies of 5-bromo-1-(Propargyl)-7-azabenzimidazole and its 1,2-propadiene Analogue

    Article • Chemistry Africa, November 2022, Springer Science + Business Media

    Nathanael Ojo

  13. Synthesis and Corrosion Inhibition Studies of (E)-3-(2-(4‑chloro-2-nitrophenyl)diazenyl)-1-nitrosonaphthalen-2-ol on Mild Steel dissolution in 0.5 M HCl Solution- Experimental, DFT and Monte Carlo Simulations

    Article • Journal of Molecular Structure, November 2022, Elsevier

    Nathanael Ojo

  14. Investigation of the corrosion inhibition potentials of some 2-(4-(substituted)arylidene)-1H-indene-1,3-dione derivatives: density functional theory and molecular dynamics simulation

    Article • Beni-Suef University Journal of Basic and Applied Sciences, October 2022, Springer Science + Business Media

    Nathanael Ojo

  15. Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

    Article • Heliyon, October 2022, Elsevier

    Dr Arulraj Ramalingam, Nathanael Ojo

  16. Investigation of Corrosion Inhibition Potentials of Some Aminopyridine Schiff Bases Using Density Functional Theory and Monte Carlo Simulation

    Article • Chemistry Africa, January 2022, Springer Science + Business Media

    Nathanael Ojo

  17. Structural Modification of Ibuprofen as new NSAIDs via DFT, Molecular Docking and Pharmacokinetics Studies

    Article • International Journal of Advances in Engineering and Pure Sciences, December 2021, Marmara Medical Journal

    Nathanael Ojo

  18. Synthesis, Light Harvesting Efficiency, Photophysical and Nonlinear Optical Properties of 3-(5-(4-hydroxybenzylideneamino)naphthalen-1-yliminomethyl)phenol: Spectroscopic and Quantum chemical approach

    Article • Research on Chemical Intermediates, August 2021, Springer Science + Business Media

    Nathanael Ojo

  19. Corrosion Inhibitive Potentials of some 2H-1-benzopyran-2-one Derivatives- DFT Calculations

    Article • Biointerface Research in Applied Chemistry, March 2021, AMG Transcend Association

    Nathanael Ojo

  20. Electronic and nonlinear optical properties of 2-(((5-aminonaphthalen-1-yl)imino)methyl)phenol: Experimental and time-dependent density functional studies

    Article • Journal of Molecular Liquids, December 2020, Elsevier

    Professor Rui Werner Macedo Krause, Nathanael Ojo

  21. Organic materials with light-induced technological applications

    Article • Computational and Theoretical Chemistry, December 2020, Elsevier

    Professor Rui Werner Macedo Krause, Nathanael Ojo

  22. Effects of Solvents on the Electronic and Molecular Properties of 4- ((2-Methyl-4-Nitrophenyl) Imino Methyl)Phenol

    Article • International Journal of Advances in Scientific Research and Engineering, January 2019, Sretechjournal Publication

    Nathanael Ojo