| | | | |
| malihe azizi | Pauli energy based on approximate kinetic energy density functionals for theoretical insight into steric effects | M.S | | 1400/11/27 |
| Zeinab Badooei | Correlation energy and electronic properties based on information functional theory | M.S | | 1397/05/17 |
| samaneh damiri | Development of range-separated hybrid exchange-correlation functionals for modeling some characteristics of fluorescent emitters through time-dependent density functional theory | Ph.D | | 1401/11/15 |
| samaneh damiri | Proposing a novel index for excited states analysis in the framework of time-dependent density functional theory | M.S | | 1395/05/27 |
| Parisa Fallahzadeh | Nano-Saturn and ExBox•polycyclic aromatic hydrocarbons host-guest complexes from the viewpoint of density functional theory energy partitioning schemes | M.S | | 1399/11/28 |
| Tahereh Izadkhast Fasaee | Proposing and Validating Modern Density Functionals to Investigate the Excited States Properties in New Generations of Organic Light Emitting Diodes and Molecules Exhibiting Non-Adiabatic Effects | Ph.D | | 1403/06/06 |
| Tahereh Izadkhast Fasaee | Benchmarking and developing modern double-hybrid density functionals for appraising spin-state energetics in transition-metal complexes | M.S | | 1399/06/23 |
| Kimia Kargar | Density functional theory energy decomposition analysis of anions and dihalogens confined in C60 buckyball | M.S | | 1399/06/31 |
| niloofar karimi kaha | Development and Evaluation of Spin-Opposite-Scaled Range-Separated Exchange Double-Hybrid Density Functionals for Describing Electronic Properties | Ph.D | | 1402/03/03 |
| Mahboubeh Khorrami | Evaluating dynamic and nondynamic electron correlation using Pauli energy and information-theoretic approach | M.S | | 1399/06/31 |
| Reza Mostaghimi | Developing Optimally Tuned Range-Separated Hybrid Functionals to Investigate the Multi-Resonance Thermally Activated Delayed Fluorescence in Hyperfluorescent Organic Light Emitting Diodes | M.S | | |
| zahra safari | Quantitative description of steric effects based on information theory functionals | M.S | | 1395/05/26 |
| Zahra Safari | Investigation of photophysical processes controlled by the singlet and triplet excited electronic states from the perspective of optimally tuned range-separated time dependent density functional theory | Ph.D | | 1400/06/31 |
| Mahdi Soltani nejad | Designing long-range corrected hybrid functionals for predicting the oscillator strength of electronic spectra | M.S | | 1402/11/15 |
| Faezeh Taravat | Energy partitioning schemes of intermolecular interactions and theoretical rationalization of chemical reactivity from the perspective of density functional theory | M.S | | 1397/05/16 |
| saba valhtoon | Local temperature based on the kinetic energy density as a rate constant descriptor | M.S | | 1403/11/07 |
| fatemeh vaziri alamdarloo | Proposing Range-Separated Hybrid Functionals to Describe Room Temperature Phosphorescence | M.S | | 1404/10/08 |
| | Introducing a new electronic descriptor for the assessment of aromaticity: Application to the Hammett equation related problems | Ph.D | | 1400/05/20 |
| saeedeh aminsafaee | Noncovalent interactions in fullerene like derivatives: i)Endohedral confinement of noble gas atoms ii)Pnicogen bonds | M.S | | 1394/06/25 |
| Maryam Behzadi | Molecular Dynamics Simulation Study of Binary Mixtures of Ionic Liquids and Alcohol at different concentrations: Effect of Cation, Anion and Alcohol on the Bulk and Interfacial Properties | M.S | | 1402/11/15 |
| Omid Estakhr | Fabrication, characterization and performance evaluation of solar cells based on metal oxide nanoparticles | Ph.D | | |
| OMID ESTAKHR | Dye Sensitized Solar Cells Based on Bi2WO6 Nano Particles | M.S | | 1399/11/27 |
| Ameneh Ganji Rad | Experimental and computational investigation of lithium extraction from produced water with oil using electrochemical methods | Ph.D | | |
| fatemeh haghshenas | Theoretical study of the H2O2 adsorption on (TiO2) n (n=5-10) nanoclusters | M.S | | 1394/06/04 |
| nasimeh laridashti | PART A: Computational Design of Efficient Bifunctional Catalyst for Overall Water Splitting PART B: Aapplication of Machine Learning Methods for the Prediction of Melting Point of Deep Eutectic Solvents | Ph.D | | 1401/10/28 |
| Maryam Mehdizade | A Theoretical Study on the Kinetics of the C2H3+Cl2 Reaction | M.S | | 1395/05/16 |
| sedigheh sadat moosavi | The interactions of anionic and cationic surfactants with solid surfaces and membranes | Ph.D | | 1402/10/06 |
| zeinab parvazi | Kinetics and mechanism study of environmental pollutant removal using copper oxide modified structures | M.S | | |
| behshad poorshiri golaki | A Theoretical Study on the Kinetics of the Reaction of HO2 with OH Radicals | M.S | | 1397/05/15 |
| salma rahimi koushki | Exploring Lithium-Based Deep Eutectic Solvents as Sustainable Electrolytes in Dye-Sensitized Solar Cells: Combined Experimental and Computational Study | M.S | | |
| Farideh Rezaei | Computational design and engineering of materials for various applications including hole transport materials for perovskite solar cells and photosensitizers for photodynamic therapy | Ph.D | | 1402/11/15 |
| hengameh setoodeh | Computational design of organic semiconductors for upgrading the performance of field effect transistors | M.S | | 1397/08/30 |
| Maryam Sha'bani Nejadi Shirazi | Investigating the Potential of Deep Eutectic Solvents in Green Energy and Electrochemical Synthesis: Experimental and Computational Studies | Ph.D | | |
| maryam sotudeh | Theoretical Investigation of the Nonlinear Optical Responses of Boron Cluster Assemblies, Computational Design of Janus SnXY Monolayers (X= P, As, Sb; Y= H, CH3) for Photocatalytic Applications, and Investigation of the Stability of BO Two-Dimensional Structures Doped with Alkali and Alkaline Earth Metals | Ph.D | | 1403/06/21 |
| zahra zahiri | Kinetics and Mechanism of Organic Pollutant Degradation by Nickel Molybdate Nanocomposites | M.S | | 1400/04/23 |
| Zahra Zare | A Theoretical Study on the Kinetics of the HO2+H2 Reaction | M.S | | 1396/08/23 |
| طاهره خشتی | Theoretical Investigation of Structural, Electronic and Optical Properties of BODIPY Dyes and Germanane-based Two dimensional Heterostructures for Photovoltaic Applications | Ph.D | | 1403/05/30 |
| soode amigh | Carbon based nanocarriers for drug delivery applications | Ph.D | | 1400/06/31 |
| Maryam Heydari Dokoohaki | Exploration of the Deep Eutectic Solvents and Ionic Liquids as Chemical and Electrochemical Solutions: Computational and Experimental Assessment of Properties and Applications | Ph.D | | 1400/06/31 |
| narges karimi | Probing the solvation of heteroaromatic drugs in deep eutectic solvents | M.S | | 1400/06/31 |
| Maryam Soltani | Designing A Novel Series of Donor-Teetotum Boron Clusters as Efficient Materials for Nonlinear Optical Responses | M.S | | 1400/06/09 |
| | Alkyl Chain Length Effect of Pyridinium-based Ionic Liquids on Electrochemical Behavior of Carbon Ionic Liquid Electrode and Spectrofluorimetric Determination of Doxycycline in Honey Based on the Plasmonic Interaction between its Europium Complex and Silver Nanoparticles | M.S | | 1393/06/30 |
| Ahmad Ansari | INVESTIGATION OF SYNTHESIS AND DECAY OF THE TRANSURANIUM NUCLEI VIA CALCULATION OF CROSS-SECTION | Ph.D | | 1396/05/21 |
| SeyyedehFatemeh Ayatollahi | Investigating properties of Bis(fluorosulfonyl)imide (FSI) and Bis[(trifluoromethyl)sulfonyl]imide (NTf2)-Based Electrolytic Ionic Liquids in Gas, Liquid and at Lithium-Electrode/Ionic Liquid Interfaces: Density Functional Theory Calculations and Molecular Dynamics Simulations | Ph.D | | 1399/06/26 |
| niloofar azari | The Effect of Different Additives in Electrolyte Solution on the Performance of Dye Sensitized Solar Cells: Experiment and Simulation | M.S | | 1399/11/30 |
| bahare azdi | Synthesis of Silver Silicate-rGO. MWCNT and SnS2-GO Nanocomposite for Photodegradation of Congo Red (CR) and Tetracycline in Aqueous Sample Solution | M.S | | 1399/06/31 |
| azam azimi | Utilizing graphitic carbon nitride and porous wrinkled-silica in constructing various electrochemical sensors based on silver and palladium nanoparticles for determination of some pharmaceuticals including isoniazid, thymol, dopamine, ascorbic acid and acetaminophen | Ph.D | | 1399/11/30 |
| Samira Bahadori Haghighi | Experimental Surface Tension Measurement and Investigation of Thermodynamic Properties at Interface of Air/Electrolyte and Polar-Hydrocarbon/Electrolyte Solutions | M.S | | 1395/12/09 |
| Haideh Balali Dehkordi | Measurement of interfacial tension of long-chain-alcohols/electrolyte-solutions system as a function of temperature and concentration | M.S | | 1394/10/27 |
| Nassim Borazjani | Synthesis and Biological Evaluation of Novel Ordinary Beta-Lactam Hybrids and Schiff Bases with 2-Mercaptobenzothiazole and Benzoquinoline, Chromene, Benzeimidazole, Naphthalimide, Bis-Naphthalimide Derivatives | Ph.D | | 1399/06/26 |
| samaneh boroomand | Evaluation of HSP90 Inhibitors Activity by Molecular Dynamics Simulation | M.S | | 1395/06/31 |
| tahere bozorgizade | theoretical study on the molecular interaction between small ammonia nanotubes and coinage metals | M.S | | 1392/06/17 |
| Nasrin Dashti | Experimental Surface Tension Measurement and Investigation of Thermodynamic Properties at Interface of KI Aqueous Solution with Saturated air and Non-polar Oil | M.S | | 1399/03/28 |
| Fatemeh Dehghan Abnavi | Ionic Liquid Mixtures as Solvents for Dye Sensitized Solar Cells (DSSC) | M.S | | 1397/06/31 |
| abdolhamid dehghani | Synthesis, Characterization and Photocatalytic Activity of Nanotubes Ag/AgBr/TiO2 and Flower-Like Ag/AgBr/BiOBr in Some Organic Reactions | M.S | | 1399/06/30 |
| elham dehghanpisheh | Quantum Mechanical Investigation of Structures and Properties of Co, Co/Cr Small Clusters and Their Interactions with O2 and C2H4 | Ph.D | | 1394/02/17 |
| maryam erami | Removal of organic pollutant from aqueous solutions by adsorption process on ?-MnO2 nano structure | M.S | | 1399/11/29 |
| fazlolah eshghi | Theoretical study of vanadium/nickel clusters and their interaction with some small molecules | Ph.D | | 1396/06/21 |
| Hamid Etehad khub | A Theoretical study on the mechanism and kinetics of the reaction of sulfur (3P) atom with methane and ethane | M.S | | 1393/10/18 |
| fatemeh fadaei nobandegani | Study of phase equilibria and thermodynamic properties of various mixtures including: normal fluids, refrigerants, and ionic liquids: Measurement and Prediction | Ph.D | | 1392/06/27 |
| Raheleh Fallahzadeh | Halogen-Hydride Bond:The Effect Of Metal,Halogen and Hydrogen Environment | M.S | | 1392/06/26 |
| Maryam Farmani | Theoretical Investigation for the Impact of Morphology on the Electronic and Charge Transport Properties of Polycyclic Aromatic Hydrocarbons | M.S | | 1399/06/31 |
| tahereh ghaedsharaf | An Experimental Study on Surface Properties of Morpholinium-based Ionic Liquids | M.S | | 1392/07/09 |
| Tahereh Ghaed-Sharaf | Investigating the Morphology of Long Chain Ionic Liquids in Water and Their Application in Drug Delivery Process: MD Simulation and Experimental Studies | Ph.D | | 1398/11/16 |
| Narjes Ghafarijoo | Experimental Surface Tension Measurement and Investigation of Thermodynamic Properties at Interface of Air/Electrolyte and Hydrocarbon/Electrolyte Solutions | M.S | | 1395/12/11 |
| Hajar Hasanhosini | Kinetics analysis on photocatalytic degradation of organic pollutant by MnO2 nanocomposites | M.S | | 1399/06/31 |
| maryam hashemi | Investigation of Properties of Protic Ionic Liquids by Quantum Mechanical Calculation and ab initio molecular dynamics simulation | M.S | | 1392/12/19 |
| Nasim Hassani | Part A: Mechanism of CO and NO Oxidation Reaction on Various Catalysts , Part B: Kinetics of NH (X_3 ?-) Reaction with SO (X_3 ?-) | Ph.D | | 1397/10/19 |
| Maryam Heydari dokoohaki | Alzheimer’s Disease: A Molecular Dynamics Simulation Perspective | M.S | | 1395/06/29 |
| Mahnaz Jabbarzadeh Sani | Relativistic investigation of structural and electronic properties of small Au clusters : A density functional study | Ph.D | | 1398/06/11 |
| Niloofar Karimi kaha | Predicting photophysical properties of organic light emitting diodes based on thermally activated delayed fluorescence using hybrid density functionals | M.S | | 1396/05/03 |
| ROKHSAREH KHODABANDEH | \tpH-Sensitive Nanotubes for Drug Delivery in Cancer Therapy | M.S | | 1397/06/31 |
| Nasimeh Laridashti | Theoretical study of H2O2 adsorption on Fe- and N- doped (TiO2)5,(TiO2)6 nanoclusters | M.S | | 1394/06/11 |
| Reyhane Malaei | Spectrophotometric determination of captopril based on its radical restoration ability catalyzed by carbon nanozymes | M.S | | 1395/12/16 |
| parisa mamoozadeh | Viscosity measurement of morpholinium-based ionic liquids | M.S | | 1392/12/06 |
| Abdollah Masoudi | Visible-light Photocalytic Activity Of N-doped Zinc Oxide | M.S | | 1397/06/25 |
| Marziyeh sadat Masoumpour | Part A: A Theoretical Study on the Kinetics of the Reaction of HO2+H2S ,Part B: A Theoretical Study on the Dynamics and Kinetics of the Reactionof H2S+O | Ph.D | | 1396/06/26 |
| Elham Mazarei | Part A: A Theoretical Study on the Dynamics of the Reaction of CH Radicals with H2O Part B: Theoretical Study on the Dynamics and Kinetics of CH2OH with OH Reaction Part C: Application of Master Equation to Multi Well System of CH3OH+HO2 | Ph.D | | 1396/12/09 |
| Fattah Mohammadi | Fe3O4@SiO2-dendrimer-encapsulated Cu(II) complex and PAV@Cu(II) Schiff-base complex as two hetregeneous nanocatalysts in synthesis of 2-substituted benzimidazoles and 1,4-disubstituted triazoles in water as a green solvent under mild conditions | M.S | | 1396/12/16 |
| Soheila Mohseni | Optimally tuning range-separated density functionals for estimation of oxidation potentials | M.S | | 1396/05/04 |
| samaneh moosavi | Part A: A Theoretical Study on the Dynamics of Gas Phase Reaction of Methyl Cation with Atomic Oxygen Part B: Theoretical Study on the Kinetics of the HN (T) + OH (D) Reaction | Ph.D | | 1397/10/18 |
| seyede Maryam Mortazavi | A Theoretical Investigation on the Potential Enegy Surface, Kinetics and Mechanism of H2S + O3 Reaction& A Theoretical Study on the Dynamics of the C2H4+ S Reaction on an Interpolated Potential Energy Surface | Ph.D | | 1392/12/17 |
| Mahsa Niakan | Synthesis of transition metal catalysts immobilized onto the solid supports and their applications in some organic reactions | Ph.D | | 1398/06/26 |
| Farideh Pahlavan | Theoretical study of electronic structure of small transition metal clusters and their interaction with some small organic molecules | Ph.D | | 1394/02/09 |
| Maliheh Pezeshki | Study of Bulk Thermophysical and Surface Properties of Morpholinium-based Ionic Liquids by Molecular Dynamics Simulation | Ph.D | | 1397/08/23 |
| hamzeh pezhhan | Studying the enzymatic-like activities of some nanoparticles in determination of glucose and hydrogen peroxide & Application of modified-carbon dots in determination of Hepatitis B and Cytochrome C | Ph.D | | 1400/03/25 |
| Sayedeh zahra Sajadian | Aggregation behavior of the long-alkyl chain ionic liquids in aqueous solution: Spectrofluorimetric, surface tension, and electrokinetic measurements | M.S | | 1397/12/21 |
| Leila Sakhtemanian | Experimental Surface Tension Measurement and Investigation of Thermodynamic Properties at Interface of Air/Electrolyte and Nonpolar-Oil/Electrolyte Solutions | M.S | | 1394/10/27 |
| Maryam Salarhaji | Quantum chemical studies of Titanium clusters and Manganese complexes | Ph.D | | 1398/06/13 |
| Maryam Salarhaji | part A:Two-electron Reduction Potential of Biological Molecules (Flavin group): A Theoretical Study partB: INTERACTION OF DNA BASES WITH CdnXn(n=1;2)(X=S,Se,Te) QUANTUM DOTS | M.S | | 1393/06/26 |
| Tahereh Sedghamiz | Molecular Dynamics Simulation of Inclusion Complexes Involving Cyclodextrin and Cucurbituril Type Molecules: Chiral Recognition of Propranolol and Naproxen | Ph.D | | 1393/12/09 |
| manije shabih | Surface Tension Measurement of Asphaltenes Solutions: Characterization and Features | M.S | | 1393/10/10 |
| sadaf shirazifard | Experimental and molecular dynamics simulation of Partitioning and Transportation of Doxorubicin by TiO2 nanotubes | M.S | | 1398/11/28 |
| Maryam Sotudeh | Linear Monatomic Au-Ag Binary Nanowires and their Interactions with Sulfur Containing Molecules | M.S | | 1396/06/28 |
| maryam taghizadeh behbahani | Microfluidic Paper-Based Analytical Devices: Applications in Food and Biological Analysis | Ph.D | | 1398/03/25 |
| hadis Yaghmaei | Photocatalytic degradation of organic pollutant by Bi2WO6 nanocomposites: a kinetics and mechanism study | M.S | | 1399/06/31 |
| azadeh yeganeh jabri | Quantum Chemical Characterization of Metal–Organic Frameworks and Planar Tetracoordinate Carbon Compounds: Gas Adsorption and Separation Applications | Ph.D | | 1399/06/31 |
| Vahid Zarei | Part A: Hydrogen Formation from Hydrocarbons by High Frequency, High Voltage and Low Current Spark Discharge Plasma: Methane, Ethylene and Natural Gas Conversion Part B: A Theoretical Study on the Kinetics of Amidogen Radical (NH2) with Ozone (O3) Reaction | Ph.D | | 1395/06/28 |
| حسین توکلیان | Molecular Design of Indoles for Efficient Dye-Sensitized Solar Cells | M.S | | 1396/06/07 |
