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Effect of Fe3+–MMT on thermal degradation and mechanical behavior of PVP/Amylose nanocomposite films
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Abdulsalaami.Ibahim
Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
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Quantum-Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives
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2018]
Adeogun.Abideen
Removal of Basic Dye Bromophenol Blue from aqueous solution by Electrocoagulation using Al – Fe Electrodes: Kinetics, Equilibrium and Thermodynamics Studies.
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Vol.15,
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2
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2018]
Adeoye.Moriam
Structural Characteristics and Reactivity Relationship of some Thiophene Derivatives
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Vol.14,
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4
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2018]
Adeoye.Moriam
Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
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Adewumi.V
Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study.
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Aghababi Beni.Ali
Response Surface Methodology for Removal of Butyl Paraben Dye Using Zeolitic Imidazolate-67 Modified by Fe3O4 Nanoparticles from Aqueous Solutions
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Aghaie.hossein
Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
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Aghaie.Mehran
Investigation of shear stability of commercial polymer of viscosity index improver for determination of engine oil optimal formulation
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Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
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Ahmadi Sabegh.Mehdi
QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
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Ahmadi.Roya
Determination of thermodynamic parameters of produced materials from (ATTZ) with boron nitride nano-cages in different conditions of temperature, with DFT method
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2016]
Ahmadi.Roya
Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
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Ahmadi.Roya
Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
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2022]
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Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of 3-picrylamino-1, 2, 4-triazole by Density Functional Theory
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2022]
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Adsorption of Bis(1,4-dinitro toprop-2-yl) Nitramine on Boron Nitride Nano-cages Surfaces: DFT Studies
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Vol.14,
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2017]
ahmadinejad.neda
Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
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Ahmed.Sikiru
Quantum-Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives
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Ajoor.Marziyeh
Adsorptive removal of erythrosine dye from aqueous solutions using used cigarette filter ash loaded with Al/ Fe oxides
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Vol.14,
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2017]
Akbarzadeh.Mohammad Mahdi
Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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Vol.13,
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2
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Akbarzadeh.Mohammad Mahdi
FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
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Vol.12,
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ALABI.KAZEEM
Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
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Theoretical Studies of Solvent Effects on the Electronic Properties of 1, 3-Bis [(Furan-2-yl) Methylene] Urea and Thiourea
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2019]
alimohamad khani.rasool
Synthesis of PbS Functionalized with gelatin as a Fluorescence-Enhanced Sensor for determination of Phenylpropanolamine (PPA) drug in blood and urine samples
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2021]
alimohamad khani.rasool
Applying Kinetic Spectrophotometric Method for Megestrol Drug with Albizia Lebbeck Leaves-capped AgNPs Sensor Synthesis in Urine and Blood Samples
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2021]
alizadeh.omid
مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
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Vol.18,
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Babu.B
Removal of Basic Dye Bromophenol Blue from aqueous solution by Electrocoagulation using Al – Fe Electrodes: Kinetics, Equilibrium and Thermodynamics Studies.
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Vol.15,
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Bahrami.samira
Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
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Bahreini.Ahmad
Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
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Bezbaruah.Bipul
Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems
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Bezbaruah.Bipul
MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems
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Bigtan.Mohammad Hosein
DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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Vol.13,
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Bodaghi.Vida
Evaluation of [18F]FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer
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Bodaghi-Namileh.Vida
Physicochemical properties analysis and dopamine D2 receptor (D2R) docking of zotepine as an atypical antipsychotic antagonist
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2019]
Bouroumand.Shirin
Synthesis of PbS Functionalized with gelatin as a Fluorescence-Enhanced Sensor for determination of Phenylpropanolamine (PPA) drug in blood and urine samples
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2021]
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Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
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2021]
Dosti Tapgombadi.samira
The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
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Enhanced Removal of Trihalomethanes(THMs) from Aqueous Solutions Using Activated Carbon from Walnut Wood(WC) on Equilibrium, Thermodynamic and Kinetics
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Esmailian.Amirhosein
Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
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Etefagh.Makan
The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
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Fallah Shojaei.Abdollah
Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
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Farjami.Fatemeh
Electrochemical Determination of Thioridazine at Carbon Ionic Liquid Electrode
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Vol.14,
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Ghadi.Arezoo
Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
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2022]
Ghadi.Arezoo
Response Surface Methodology for Removal of Butyl Paraben Dye Using Zeolitic Imidazolate-67 Modified by Fe3O4 Nanoparticles from Aqueous Solutions
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Vol.19,
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2
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2022]
Ghaemdoost.fatemeh
QSPR Models to Predict Thermodynamic Properties of Alkenes Using Genetic Algorithm and Backward- Multiple Linear Regressions Methods
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2021]
Ghaemy.Mousa
Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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Vol.14,
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3
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Ghaffari.Vahid
Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study
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Ghammamy.Shahriar
Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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Vol.13,
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2016]
Ghammamy.Shahriar
FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
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Vol.12,
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Ghazali.Amir Abbas
Ultrasonic Assisted Removal of Methyl Paraben on Ultrasonically Synthesized Zn(OH)2-NPs-AC: Experimental Design Methodology
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2021]
Ghiasi.Reza
Molecular structure, substitution effect, solvent effect and properties of niobapyrimidinium complex: A computational study
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Gholami.Maryam
A Survey of Direct Methods for Solving Variational Problems
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Vol.12,
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3
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Gholami.mohamadreza
Doping finite-length carbon and boron nitride nanotubes with aluminium atom: A thermodynamic semiempirical investigation
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Gholami.mohamadreza
A computational study of lipophilicity of E-2-arylmethylen-1-tetralones and their heteroanalogues using QSAR and DFT Based Molecular surface Electrostatic Potential
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Vol.13,
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2
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Gholami.Seyyed Sadegh
Investigation of Silicon Nanowires Roles in Solar Cells
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Vol.19,
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2022]
Giahi.Masoud
Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions
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Vol.13,
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Givianrad.Mohammad Hadi
Antioxidant Properties of Ajwain using Square wave, Cyclic voltammetry methods and DPPH method
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Givianrad.Mohammad Hadi
Evaluation of the antioxidant activity of Thymus Using Electrochemical Methods and radical scavenging method
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H
H. Amin.Nabil
TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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2018]
Hadavi.Seyed Mohammad Mehdi
تأثیر پارامترهای فرآیند لیزر بر ویژگیهای هندسی سوپرآلیاژ آلومینیومی Inconel738 با روکش لیزری
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2021]
Hadigheh Rezvan.Vahideh
Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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Vol.13,
Issue
2
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2016]
Hadigheh Rezvan.Vahideh
FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
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Vol.12,
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4
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Hafeznezhad.Sahar
Fast and efficient adsorptive removal of manganese (II) from aqueous solutions using malicorium magnetic nanocomposites
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haghdoost.gholamali
Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
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2016]
haghdoost.gholamali
The Use of Corn cob Micro Powder as a Low Cost Adsorbent, for the Removal of Co2+Ion from Aqueous Solutions and from the View Point Thermodynamics
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haghdoost.gholamali
Removal of Reactive Red 120 from Aqueous Solutions Using Albizia lebbeck Fruit (Pod) Partical as a Low Cost Adsorbent
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haghdoost.gholamali
Elimination of Reactive Red 120 (RR-120) Dye from Aqueous Solution by the using of Date Cores Particles
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haghdoost.gholamali
Adsorption of Methylene Blue Dye from Aqueous Solution by Using Gamma Alumina Nanoparticles
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2022]
haghdoost.gholamali
Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
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haghdoost.gholamali
Elimination of Congored from Aqueous Solution by the using of gamma alumina nanoparticles
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Hasanjani.Amir
The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
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Hashemi.Fariba Sadat
Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
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hussien.shimaa
Electronic Structure, Biological Activity, Natural Bonding Orbital (NBO) and Non-Linear Optical Properties (NLO) of Poly-Functions Thiazolo [3,2-a]Pyridine Derivatives. DFT Approach
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hussien.shimaa
TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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I
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TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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2018]
Ibrahima.ELShimaa
TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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2018]
J
jafari.darush
Sepration and determination trace amount of cadmium ions in real and water samples by cloud point extraction - flame atomic absorption spectrophotometry after preconcentration with non-ionic surfactant Triton-X114
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2018]
jafari.darush
Determination of Trace Amount of Zn2+ Ion in soil, blood and vegetable and water samples by Flame Atomic Absorption Spectrometry After Cloud Point Extraction Using Selective Synthesis Ligand2-(3- indolyl) – 4,5 di phynyl imidazole.
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2018]
Jalali Sarvestani.Mohammad Reza
Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
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2018]
Jalali Sarvestani.Mohammad Reza
Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
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2022]
Jalali Sarvestani.Mohammad Reza
Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of 3-picrylamino-1, 2, 4-triazole by Density Functional Theory
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Jamaledin.Rezvan
Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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Vol.14,
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Joohari.Shiva
A Monte Carlo simulation study of vinblastine and vincristine as clinical drugs
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Vol.12,
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2015]
K
Kalateh.KHadijeh
Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
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Vol.12,
Issue
3
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Kalhor.Mehdi
Synthesis and Solution Complexation Studies of a new Schiff base Ligand
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Vol.11,
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4
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Kanjouri.Faramarz
Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
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karachi.nima
Enhanced removal of humic acids (HAs) from aqueous solutions using MWCNTs modified by N-(3-nitro-benzylidene)-N-trimethoxysilylpropyl-ethane-1,2-diamine on Equilibrium, thermodynamic and kinetics
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Vol.14,
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3
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Karachi.Nima
Polarization, EIS and EN Studies to Evaluate the Inhibition Effect of Vanillin as Environment-friendly Inhibitor on Carbon Steel in Hydrochloric Acid Solution
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A theoretical study on halogen-π interactions: X-C2-Y…C8H8 complexes
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Theoretical study of the effects of substituent and quadrupole moment on π-π stacking interactions with coronene
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Theoretical study of - stacking interactions in substituted-coronene||cyclooctatetraene complexes: A system without direct electrostatic effects of substituents
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Kaya.Cemal
Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
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Kaya.Serkan
Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
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Issue
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2016]
Kaya.Serkan
Investigation of Variations of Isotropic g- and A- Values with Orientation of Trapped O2−, N2− and Cl2− Radicals in KCl and NaCl Crystals
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Vol.13,
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Kereselidze.Jumber
Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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3
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Keshavarz Rezaei.farideh
Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids
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Vol.13,
Issue
3
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2016]
Keshavarz Rezaei.farideh
Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents
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Vol.16,
Issue
2
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2019]
Keshavarz Rezaei.farideh
Theoretical thermodynamic study of Pyrazole in the gas phase at the different temperatures
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Vol.10,
Issue
1
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2013]
Keshavarz Rezaei.farideh
Theoretical study of solvent effect on NMR shielding for Pyrazole and Pyrazoline
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Vol.11,
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2
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2014]
Keshavarz Rezaei.farideh
Theoretical thermodynamic study on the interaction between Fe2+ ion and Pyrazole
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Vol.10,
Issue
3
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2013]
Keshavarz Rezaei.farideh
Theoretical Study of the Solvent Effect on the Stability Energies of Pyrazole and Pyrazoline
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Keshavarz.Morteza
Density Functional Theory Calculations of Functionalized Carbon Nanotubes with Metformin as Vehicles for Drug Delivery
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Keshavarz.Morteza
Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride
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Vol.19,
Issue
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2022]
Khaleghian.Mehrnoosh
Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
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Vol.7,
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Khaleghian.Mehrnoosh
DFT Study of Phenanthrene adsorption on a BN Nano-Ring
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Vol.13,
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2
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Khazali.Fereydoon
Ultrasonic Assisted Removal of humic acids (HAs) from aqueous solutions on Uultrasonically polysulfone/ X% Fe2O3 mixed matrix membrane, An Experimental Design Methodology
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Vol.19,
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2022]
Khazali.Fereydoon
Synthesis of PbS Functionalized with gelatin as a Fluorescence-Enhanced Sensor for determination of Phenylpropanolamine (PPA) drug in blood and urine samples
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Vol.17,
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2020
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2021]
khoramian.Zahra
Antioxidant Properties of Ajwain using Square wave, Cyclic voltammetry methods and DPPH method
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Vol.14,
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khoshraftar.zohreh
Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
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Vol.13,
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3
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2016]
koohmareh.hossein
Enhanced removal of Bismark Brown(BB) dye from aqueous solutions using activated carbon from raw Ziziphusspina-christi (ZSAC) Equilibrium, thermodynamic and kinetics
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Vol.14,
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3
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Kurdtabar.Mehran
A deductive kinetic study of diclofenac release from chitosan-based magnetic nanocomposite hydrogels
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Kvaraia.Marine
Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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Vol.12,
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L
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The Effect of Magnetic Nanoparticles along with Magnetic Experimental Modeling for the Desalination of the Caspian Sea Water
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2018]
M
Mahanpoor.Kazem
DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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Vol.13,
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1
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Mahkam.Mehrdad
DFT Study of 1H-tetrazolyl derivatives of tetrahedrane
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Vol.12,
Issue
1
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Mahkam.Mehrdad
Theoretical study of tetrahedrane derivatives
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Vol.13,
Issue
1
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Mahmoudloo.Ali
Investigation of Silicon Nanowires Roles in Solar Cells
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Vol.19,
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2022]
Mahmoudloo.Ali
Organic Light Emitting Diode Displays: Enabling the Next Generation of Electronics
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Vol.19,
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2
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2022]
Mahmoudloo.Ali
Investigation the Dependence of Mobility on Carrier Concentration and Temperature in Organic Semiconductors
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Vol.19,
Issue
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2022]
Mahmoudloo.Ali
The Study of Optical Properties Exciton Based of Molecular Quantum Dot
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Vol.19,
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2022]
Makvandi.Pooyan
Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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Vol.14,
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3
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Mansouri.R.
Electrochemical and Quantum Chemical Study of Vanillin as a Green Corrosion Inhibitor for AA6061 in NaCl Solution
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Vol.11,
Issue
4
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2015]
Masoumi.Mojtaba
Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
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Vol.19,
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2022]
Mazidi.Mohammad
Evaluation of [18F]FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer
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Vol.15,
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Mehdizadeh Barforushi.Maryam
A Theoretical Study on Dopamine: Geometry, energies and NMR
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Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
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Mikuchadze.George
Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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Moeinpour.Farid
Adsorptive removal of erythrosine dye from aqueous solutions using used cigarette filter ash loaded with Al/ Fe oxides
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Moeinpour.Farid
Fast and efficient adsorptive removal of manganese (II) from aqueous solutions using malicorium magnetic nanocomposites
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mohammadi.nargesi.leila
Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
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Mohammadinasab.Esmat
Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices
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Mohebbi.Shahaboddin
QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
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Mombeni Goodajdar.Bijan
Removal Phenol from Aqueous Solutions Using Environmental friendly and Effective Adsorbent onto Mn-doped Fe2O4 nanoparticles loaded on activated carbon
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2021]
Momeni Isfahani.Tahereh
QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
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Momeni Isfahani.Tahereh
مدلهای رابطه کمی ساختار-ویژگی برای پیشبینی خواص ترمودینامیکی مشتقات ایمیدازول با استفاده از توصیفگر مولکولی و الگوریتم ژنتیک-رگرسیون خطی چندگانه
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2021]
Momeni Isfahani.Tahereh
Structural Relationship Study of Octanol-Water Partition Coefficient of the Compounds in kesum Essential Oil Using GA-MLR and GA-ANN Methods
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2021]
Momeni Isfahani.Tahereh
Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
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2021]
monajjemi.majid
بررسی ساختار و دینامیک در رابط نانو ورق آب- نیکل و مقایسه آن با آب حجیم، با استفاده از میدانهای نیروی واکنشی
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2021]
Monjezi.Javid
Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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mosavi.elham
Adsorption of Benzyl Paraben Dye from Aqueous Solutions Using synthesized Mn-doped PbS (PbS:Mn) nanoparticles
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Moshayedi.shiva
مدلهای رابطه کمی ساختار-ویژگی برای پیشبینی خواص ترمودینامیکی مشتقات ایمیدازول با استفاده از توصیفگر مولکولی و الگوریتم ژنتیک-رگرسیون خطی چندگانه
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motahary.babak
استفاده از روش مونت کارلو و یک رویکرد مدلسازی-بهینه سازی جدید در مطالعه QSAR داروهای اتوپوزید
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motahary.babak
The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
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2022]
Motameni Tabatabei.Samad
IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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moustafa.hussien
Electronic Structure, Biological Activity, Natural Bonding Orbital (NBO) and Non-Linear Optical Properties (NLO) of Poly-Functions Thiazolo [3,2-a]Pyridine Derivatives. DFT Approach
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moustafa.hussien
TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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Mutiu.Oluwatumininu
Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study.
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Prediction of the structural and spectral properties for L,L-ethylenedicysteine diethylester (EC) and its complex with Technetium-99m radionuclide
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Nabati.Mehdi
Reactivity and aromaticity of hexasiline derivatives Si6XH5 (X = H, F, Cl, Br, COOH, NO2, NH2, CH3 and tBu)
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Nabati.Mehdi
Physicochemical properties analysis and dopamine D2 receptor (D2R) docking of zotepine as an atypical antipsychotic antagonist
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Evaluation of [18F]FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer
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DFT Study of 1H-tetrazolyl derivatives of tetrahedrane
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Theoretical study of tetrahedrane derivatives
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Vol.13,
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Nabati.Mehdi
Density functional theory study of the structural properties of cis-trans isomers of bis-(5-nitro-2H-tetrazolato-N2) tetraammine cobalt (III) perchlorate (BNCP)
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A quantum-mechanical investigation of functional group effect on 5,5'-disubstituted-1,1'-azobis(tetrazoles)
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Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
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Navabi.Atefehsadat
Structural Relationship Study of Octanol-Water Partition Coefficient of the Compounds in kesum Essential Oil Using GA-MLR and GA-ANN Methods
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مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
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A Survey of Direct Methods for Solving Variational Problems
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Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
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Vol.14,
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Synthesis and Solution Complexation Studies of a new Schiff base Ligand
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Nozari.Maryam
Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
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حذف رنگ بنفش کریستال با استفاده از جاذب سنتزی سیکلودکسترین اصلاح شده با نانو ذرات اکسید آهن و به کمک امواج فراصوت؛ با متدلوژی طراحی تجربی
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Investigate formation constant of some Amino Acids by p-sulphonato-calix (4) arene in Aqueous Solution
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The Effect of Magnetic Nanoparticles along with Magnetic Experimental Modeling for the Desalination of the Caspian Sea Water
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Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
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Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study.
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The Possibility of Selective Adsorption and Sensing of the Noble Gaseous Species by the C20 Fullerene, the Graphene Sheets, and the N4B4 Cluster
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Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study
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Synthesis and Solution Complexation Studies of a new Schiff base Ligand
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Pourmohammad.Mohammad
Response Surface Methodology for Removal of Butyl Paraben Dye Using Zeolitic Imidazolate-67 Modified by Fe3O4 Nanoparticles from Aqueous Solutions
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Adsorption of Bis(1,4-dinitro toprop-2-yl) Nitramine on Boron Nitride Nano-cages Surfaces: DFT Studies
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Computational study of energetic, stability, and nuclear magnetic resonance of BN nanotube as a nanosensor
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SYNTHESIS, X-RAY CRYSTAL STRUCTURE AND IR STUDY OF NEW TRINUCLEAR, BASE CARBOXSYLATE COMPLEX OF [Cu3O(OAc)6(H2O)3]Cl.CH3OH.6H2O
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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Removal Phenol from Aqueous Solutions Using Environmental friendly and Effective Adsorbent onto Mn-doped Fe2O4 nanoparticles loaded on activated carbon
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Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
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Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
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Rezaei Sameti.Mahdi
The effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study
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Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study
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A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes
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Rezaei Sameti.Mahdi
The NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage
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The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study
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A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
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DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
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Theoretical investigation about the adsorption of the Sarin nerve agent on C20 fullerene and its boron-doped derivative
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Effect of Fe3+–MMT on thermal degradation and mechanical behavior of PVP/Amylose nanocomposite films
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DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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Electrochemical Determination of Thioridazine at Carbon Ionic Liquid Electrode
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samimi.marziyeh
بررسی ساختار و دینامیک در رابط نانو ورق آب- نیکل و مقایسه آن با آب حجیم، با استفاده از میدانهای نیروی واکنشی
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SayadikordAbadi.Robabe
The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
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مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
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sayyadikordabadi.robabeh
استفاده از روش مونت کارلو و یک رویکرد مدلسازی-بهینه سازی جدید در مطالعه QSAR داروهای اتوپوزید
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sayyadikordabadi.robabeh
Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
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Semire.Banjo
Corrosion Inhibition of 5-Methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxyaldehyde on Mild Steel in 1.0 M HCl: Gravimetric Method and DFT Study.
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Quantum-Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives
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Sepasi Tehrani.Hessam
Antioxidant Properties of Ajwain using Square wave, Cyclic voltammetry methods and DPPH method
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Evaluation of the antioxidant activity of Thymus Using Electrochemical Methods and radical scavenging method
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The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
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Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations
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Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
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Analytical assessment of steel cord drawing lubricant with and without triple mixed-additive addition
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A theoretical study on methamphetamine: geometry, energies, NMR and NBO
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Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
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Computational Investigation on Naphthoquinone Derivatives :Nuclear Magnetic Resonance (NMR) and Quantum mechanic
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Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations
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Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
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Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
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DFT Study of Phenanthrene adsorption on a BN Nano-Ring
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Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study
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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
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Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
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The effects of isomerism and side chain mutation on binding energy and NMR/NQR tensors of L-methionylasparagine and L-asparagylmethionine
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Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
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Polarization, EIS and EN Studies to Evaluate the Inhibition Effect of Vanillin as Environment-friendly Inhibitor on Carbon Steel in Hydrochloric Acid Solution
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Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
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Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
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Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
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Investigation of Variations of Isotropic g- and A- Values with Orientation of Trapped O2−, N2− and Cl2− Radicals in KCl and NaCl Crystals
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Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions
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Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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Evaluation of the antioxidant activity of Thymus Using Electrochemical Methods and radical scavenging method
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Thermal stability of P-lactoglobulin Bin the presence of ‘ucrnse, sorbitol and trehalose as osmolJtes
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Complexation of alkali metal ions by totrapropary-monoamine and tetrabutoxytriamine utak] arenes
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Ionic Strength Dependence of Formation Constants: Complexation of Dioxouranium (VI) with Aspartic Acid
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Complexation of Calcium and Barium Cations by Calix[4]arene-bis-crown-6
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Evaluation of two different extraction techniques on determination of 〖Pb〗^(+2) contents of wastes of dye manufacturing industries
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Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
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Theoretical study of molecular mechanics methods on clonidine drug-carbon nano cone
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Spectrophotometric Studies ot Vanadium(III) Ion Complexes th p-Sulfonatocalixf 41 acme In Aqueous Solution
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Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes
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A Theoretical Study on Dopamine: Geometry, energies and NMR
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A theoretical study on methamphetamine: geometry, energies, NMR and NBO
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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Adsorption of Ni(II) and Cd(II) Ions from Aqueous Solutions by Modified Surface of Typha latifolia L. Root, as an Economical Adsorbent
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Catalyst of Ni and Co dependencies for carbon nanotube synthesis by CVD method
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بررسی ساختار و دینامیک در رابط نانو ورق آب- نیکل و مقایسه آن با آب حجیم، با استفاده از میدانهای نیروی واکنشی
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Zeighami.Nasrin
Doping finite-length carbon and boron nitride nanotubes with aluminium atom: A thermodynamic semiempirical investigation
[
Vol.11,
Issue
1
- WinterYear
2014]
Zeighami.Nasrin
Boron nitride substituted 12-crown-4 ether: Theoretical study of structural, thermochemical, and nonlinear optical properties
[
Vol.10,
Issue
3
- SummerYear
2013]