Name nasrin jabbarvand behrooz Affliation Azarbaijan Shahid Madani University-Basic Science faculty-Molecular Simulation Laboratory Degree Ph.D / Chemistry-Physical Chemistry Academic Rank - WebSite [Personal Home Page] Email njabbarvand [at] yahoo [dot] com Article Presentation Project Book Thesis Speech Innovation TitleJournal 1 Quantum theory calculations (DFT method) of hydrogen-bond charge transfer complex derived from p-phenylenediamine and picric acid to understand the molecular structure from various thermodynamic, electronic, and spectroscopic aspects JOURNAL OF MOLECULAR MODELING 32 (2026) 19 2 A computational approach (MD simulation and COSMO-RS) for evaluating the extraction capability of hydrophobic deep eutectic solvent based on thymol and caprylic acid in aqueous solutions of a new class of synthetic insecticides CHEMICAL ENGINEERING SCIENCE 321 (2025) 19 3 Potential use of deep eutectic solvents based on sugar as green separation media for the acidic gases capture process from the gas mixtures: molecular dynamics simulation and COSMO‑RS insights JOURNAL OF MOLECULAR MODELING 31 (2025) 19 4 The Effect of an External Electric Field (EEF) on Deep Eutectic Solvent Based on Monoterpenes (V Type DESs) With Molecular Dynamics Simulation Approach Engineering Reports 7 (2025) 16 5 A computational perspective on the changes made in the structural, optical, and electronic properties of melamine and picric acid/quinol with the formation of charge transfer complexes STRUCTURAL CHEMISTRY - (2025) 19 6 Experimental and theoretical study of the Favipiravir association in water solvent JOURNAL OF MOLECULAR LIQUIDS 401 (2024) 14 7 Differences in the Effect of Water on Deep Eutectic Solvents Based on Choline Chloride/Lauric Acid and Choline Chloride/Myristic Acid: Molecular Dynamics Simulations at Three DifferentTemperatures ChemistrySelect 8 (2023) 17 8 Investigation of Menthol and Caprylic acid based Deep Eutectic Solvent from the Point of View of Molecular Dynamics Simulation and COSMO-RS Communications in Catalysis 2 (2023) 35-46