سامانه پژوهشی دانشگاه شهید مدنی آذربایجان | نسرين جباروندبهروز

نام و نام خانوادگی	نسرین جباروندبهروز
شغل	دانشجوی دانشگاه شهید مدنی آذربایجان / دانشگاه شهید مدنی آذربایجان-دانشکده علوم پایه-آزمایشگاه شبیه سازی مولکولی
تحصیلات	دکترای تخصصی / شیمی-شیمی فیزیک
مرتبه علمی	—
صفحه شخصی	[وب‌سایت شخصی]
پست الکترونیک	njabbarvand [at] yahoo [dot] com

	عنوان	مجله
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

نسرین جباروندبهروز