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Open Access Article
1 - Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
zohreh khoshraftar Ali Shamel -
Open Access Article
2 - Removal of Basic Dye Bromophenol Blue from aqueous solution by Electrocoagulation using Al – Fe Electrodes: Kinetics, Equilibrium and Thermodynamics Studies.
Abideen Adeogun B Babu -
Open Access Article
3 - A deductive kinetic study of diclofenac release from chitosan-based magnetic nanocomposite hydrogels
Zargazi M. H. Ghadimi Yari M. Mehran Kurdtabar -
Open Access Article
4 - The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
ghasem ghasemi babak motahary robabe Sayadikordabadi Asghar Alizadehdakhel -
Open Access Article
5 - The effect of polylactic acid support in stability and electrical field of heterocyclic coupled hexa peptide nano systems: A novel strateu to drug delivery
B. Khalil Hadad M. Monajjemi -
Open Access Article
6 - Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells
F. Kaveh K. zare S. Salemi A. R. Illchani N. Khodayari -
Open Access Article
7 - Molecular dynamics simulation of interaction of Melittin and DMPC bilayer: Temperature dependence
F. Kaveh H. Pasdar -
Open Access Article
8 - A Theoretical Study on Cycloaddition of 2-Ethyny1-2, 3-Dihdrofurane and Phenyl Azide
Seyyed Amir Siadati Mohammad R. Zardoost Mohamad R. Emadi Toosse -
Open Access Article
9 - Investigation of Monte Carlo, Molecular Dynamic and Langevin dynamic simulation methods for Albumin- Methanol system and Albumin-Water system
M. Monajjemi N. Dalili Mansour A. Kazemi Babaheydari M. Khaleghian -
Open Access Article
10 - Gyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations
M. Monajjemi A. R. Oliaey -
Open Access Article
11 - Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations
F. Mollaamin T. Nejadsattari I. Layali -
Open Access Article
12 - Kinetics and Mechanism of Oxidation of n-Pentanol by Tetramethylammonium Fluorochromate
Ali Shamel Farrokh Gharib -
Open Access Article
13 - A Theoretical Investigation of Kinetics and Mechanism of Aza-Cope Rearrangement
M. R Zardoost S. A. Radati H. Davoudi M. R. Gholami H. Aghaei -
Open Access Article
14 - Molecular Modeling Studies on Vinblastine Binding Site of Tubulin for Antimitotic agents
Z. Varmaghani F. Mollaamin L. Pishkar B. Khalili Hadda -
Open Access Article
15 - Thermodynamic study of lead ion removal by adsorption onto nanographene sheets
Y. Saghapour M. Aghaie K. Zare -
Open Access Article
16 - Investigation of Different Solvents and Temperatures Effects on (3,7) Single-Walled Carbon Nanotubes: DFT Study
M. Monajjemi M. Khaleghian -
Open Access Article
17 - A Comparative DFT Study on Structural and Electronic Properties of C24 and Some of Its Derivatives: C12B6N6, B6N6C12 and B12N12
M. Anafche F. Naderi -
Open Access Article
18 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
L. Mahdavian -
Open Access Article
19 - Study of the adsorption of methyl orange from aqueous solution using nickel oxide nanoparticles: Equilibrium and Kinetics Studies
F. Falaki A. Fakhri -
Open Access Article
20 - Thermodynamic Study of Hg(II) Ion Adsorption onto Nano Hydroxyapatite from Aqueous Solution
S. Ghasemlou H. Aghaie M. Monajjemi -
Open Access Article
21 - Modifications of Internal Molecular Structures of Asphalt Components Due to Physical Aging
Iffat R. Arisa -
Open Access Article
22 - The Effect of Aluminum, Gallium, Indium- Doping on the Zigzag (5, 0) Boron-Nitride Nanotubes: DFT, NMR, Vibrational, Thermodynamic Parameters and Electrostatic Potential Map with Electrophilicity Studies
Reza Soleymani -
Open Access Article
23 - Kinetics and mechanism of the reaction of lysine with permanganate ion at different ionic strengths and temperatures
Farrokh Gharib Dariush Ehsanipour Kasra Karroubi