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Effect of Fe3+–MMT on thermal degradation and mechanical behavior of PVP/Amylose nanocomposite films
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Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
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Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
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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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Quantum-Chemical and Solvatochromic analysis of solvent effects on the Electronic Absorption Spectra of Some Benzodiazepine Derivatives
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Adeoye.Moriam
Structural Characteristics and Reactivity Relationship of some Thiophene Derivatives
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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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Aghababai 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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Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
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Polymeric Membrane Sensor for Potentiometric Determination of Tin(II) Ions
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Polymeric Membrane Sensor for Potentiometric Determination of Tin(II) Ions
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Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
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Aghaie.Hossein
Hydrolysis of cadmium cation in different ionic strength
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Thermal stability of P-lactoglobulin Bin the presence of ‘ucrnse, sorbitol and trehalose as osmolJtes
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Aghaie.Hossein
A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
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Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
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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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Complexation of Calcium and Barium Cations by Calix[4]arene-bis-crown-6
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Doping finite-length carbon and boron nitride nanotubes with aluminium atom: A thermodynamic semiempirical investigation
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Comparative analysis of chemical and thermal denatured 13-lactoglobu1in A in the presence of sugar osmolytes
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Aghaie.Mehran
Solubility Product Study of CdF2 in a Mixed Solvent Medium and Related Ion—Pair Formation at 25 °C
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Aghaie.Mehran
Evaluating the optimum molar ratio of Mn2+/Co2+ and mass percent of Al2O3 for preparing a catalyst for secondary alcohol oxidation
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Investigation of shear stability of commercial polymer of viscosity index improver for determination of engine oil optimal formulation
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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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Aghaie.Mehran
Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
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Ahangari-Givi.Maryam
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
Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
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Ahmadi.Roya
Computational study of chemical properties of Captopril drug and the connected form to Fullerene (C60) as a medicine nano carrier
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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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Ahmadi.Roya
The influence of Tyrozine on energetic property in Graphene Oxide: A DFT studies
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Ahmadi.Roya
Theoretical Study of Cr042- and Mo042- Interaction with Glysine via Comparing NMR, NBO and other chemical factors
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Ahmadi.Roya
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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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
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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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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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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Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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ALABI.KAZEEM
Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
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ALABI.KAZEEM
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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Applying Kinetic Spectrophotometric Method for Megestrol Drug with Albizia Lebbeck Leaves-capped AgNPs Sensor Synthesis in Urine and Blood Samples
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مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
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Asghari Moghaddam.Nastaran
Study of pH influence on the stability of 175th codon of P53 genes by computational and modeling methods
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Azarakhshi.Fatemeh
DFT Study of Phenanthrene adsorption on a BN Nano-Ring
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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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Determination of ultra trace amount Chromium in water samples with the 1-(2-PyridylAzo)-2-Naphthol, (PAN) by the bromate ion in sulfuric acid with kinetic spectrophotometric method
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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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Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
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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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Bezbaruah.Bipul
MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems
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Ab initio study on the variation of stacking interactions of aniline and hydrated 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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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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Physicochemical properties analysis and dopamine D2 receptor (D2R) docking of zotepine as an atypical antipsychotic antagonist
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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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Ab Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
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Derakhshi.Pirouz
Adsorption of Cd2+ ions onto magnetic Bentonite/Fe3O4 nanoparticles loaded on Alginate beads in simulated wastewater to protect the environment
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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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2021]
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QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)
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Ebrahimi.A.
Thermodynamics of Non-Ideality and Ion-Association in Saturated Aqueous Solution of Barium Nitrate at 25° C
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Ebrahimzadeh Rajaei.Gholamreza
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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edraki.milad
Study on the Optical and Rheological properties of polymer- layered Silicate Nanocomposites
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Ershad.tuba
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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Adsorption properties of nickel oxide nanoparticles for removal of Congo Red from aqueous solution
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fakhri.ali
Photocatalytic degradation of methyl orange and Congo red using C,N,S-tridoped SnO2 nanoparticles
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Falaki.Foujan
Adsorption properties of nickel oxide nanoparticles for removal of Congo Red from aqueous solution
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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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2021]
Farjami.Fatemeh
Electrochemical Determination of Thioridazine at Carbon Ionic Liquid Electrode
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Fazaeli.Reza
Classical DFT Study on Atomic Electronegativity
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Fazaeli.Reza
Role of activated carbon from natural adsorbent for removal of textile dyes: effect of pH, kinetic and adsorbent mass
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Felegari.Zahra
The investigation of interaction between Cyclophosphamide and single walled Carbon Nanotubes with DFT and NBO
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ghaderi.soheila
Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
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2016]
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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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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1
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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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Ghaffari.Vahid
Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study
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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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2016]
Ghammamy.Shahriar
Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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gharib.farrokh
Kinetics and Mechanism of Oxidation of n-Pentanol by Tetramethylammonium Fluorochromate
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2009]
gharib.farrokh
Kinetics and mechanism of the reaction of lysine with permanganate ion at different ionic strengths and temperatures
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gharib.farrokh
Hydrolysis of cadmium cation in different ionic strength
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Vol.5,
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2008]
gharib.farrokh
Ionic str4ength dependence of formation constants, complexation of Glycine with dioxouranium (VI) Ion
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2005]
gharib.farrokh
Ionic Strength Dependence of Formation Constants: Complexation of Dioxouranium (VI) with Aspartic Acid
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2004]
gharib.farrokh
Spectrophotometric Studies ot Vanadium(III) Ion Complexes th p-Sulfonatocalixf 41 acme In Aqueous Solution
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2009]
gharib.farrokh
Interaction of Thallium (I) with Cytidine 5-Monophosphate in Different Ionic Strengths and Various Media
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2014]
gharib.farrokh
Solvent Effects on Complexation of Dioxovanadium (V) with Glycine in Methanol-Water Mixtures
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gharib.farrokh
Solvent effects on protonation and complexation of histidine with molybdenum (VI) at different aqueous solutions of methanol
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Vol.12,
Issue
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2015]
gharib.farrokh
Protonation Constants of Glycylisoleucine at Different Ionic Strengths and Various Ionic Media
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Ghasemi.Giti
Density Functional Study on Stability and Structural Properties of Cu n clusters
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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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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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Gholami.Seyyed Sadegh
Investigation of Silicon Nanowires Roles in Solar Cells
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2022]
Ghoranneviss.M.
Effect of Catalyst on the Growth of Diamond-like Carbon by HFCVD
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Ghorbani.Mohammad Hossein
Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
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Ghorbani.Mohammad Hossien
Classical DFT Study on Atomic Electronegativity
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Giahi.Masoud
Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions
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Giahi.Masoud
Photocatalytic Degradation of Triton X-100 by Zinc oxide Nanoparticles
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Giahi.Masoud
Comparison of the vanadyl-selective electrodes prepared by sol–gel and PVC membrane techniques
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2007]
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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Issue
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2018]
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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Issue
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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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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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Issue
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2016]
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]
Hafeznezhad.Sahar
Fast and efficient adsorptive removal of manganese (II) from aqueous solutions using malicorium magnetic nanocomposites
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Issue
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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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Vol.15,
Issue
2
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2018]
haghdoost.gholamali
Elimination of Congored from Aqueous Solution by the using of gamma alumina nanoparticles
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Issue
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2022]
haghdoost.gholamali
Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
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Vol.13,
Issue
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2016]
haghdoost.gholamali
Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
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2022]
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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Vol.15,
Issue
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2019]
haghdoost.gholamali
Elimination of Reactive Red 120 (RR-120) Dye from Aqueous Solution by the using of Date Cores Particles
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Vol.16,
Issue
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2019]
haghdoost.gholamali
Adsorption of Methylene Blue Dye from Aqueous Solution by Using Gamma Alumina Nanoparticles
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Vol.19,
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2022]
Hamedani.Shahla
A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
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Hasanjani.Amir
The Effect of Different Auxiliary Collector in Flotation of Phosphate Ore
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2021]
Hashemi.Fariba Sadat
Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
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Issue
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Hosseini.H.
Application of topological and physicochemical descriptors: QSTR analysis of the toxicity of benzene derivatives
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Vol.13,
Issue
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2016]
hosseini.maryam
Determination of water quality parameters and nutrient level with an Adaptive Neuro- Fuzzy Inference System
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Issue
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2014]
Hosseini.sharieh
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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2016]
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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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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TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
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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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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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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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Fullerene (C24) as a Nanocarrier for Procarbazine Anticancer Drug: A Density Functional Theory Investigation
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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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Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
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Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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A Monte Carlo simulation study of vinblastine and vincristine as clinical drugs
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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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Synthesis and Solution Complexation Studies of a new Schiff base Ligand
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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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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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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 - stacking interactions in substituted-coronene||cyclooctatetraene complexes: A system without direct electrostatic effects of substituents
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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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Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
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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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Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
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Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids
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Theoretical thermodynamic study of Pyrazole in the gas phase at the different temperatures
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Theoretical thermodynamic study on the interaction between Fe2+ ion and Pyrazole
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Theoretical study of solvent effect on NMR shielding for Pyrazole and Pyrazoline
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Theoretical Study of the Solvent Effect on the Stability Energies of Pyrazole and Pyrazoline
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Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents
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Density Functional Theory Calculations of Functionalized Carbon Nanotubes with Metformin as Vehicles for Drug Delivery
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Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride
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Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
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DFT Study of Phenanthrene adsorption on a BN Nano-Ring
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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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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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Effects of solvents polarity parameters on heterogeneous catalytic hydrogenation of cyclohexene in molecular solvents
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Antioxidant Properties of Ajwain using Square wave, Cyclic voltammetry methods and DPPH method
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Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
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Multiresidue determination of organophosphorus pesticides in corn oil using solid-phase extraction with lanthanum silicate sorbent and gas chromatography
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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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A deductive kinetic study of diclofenac release from chitosan-based magnetic nanocomposite hydrogels
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Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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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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DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
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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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Investigation of Silicon Nanowires Roles in Solar Cells
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Organic Light Emitting Diode Displays: Enabling the Next Generation of Electronics
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The Study of Optical Properties Exciton Based of Molecular Quantum Dot
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Investigation the Dependence of Mobility on Carrier Concentration and Temperature in Organic Semiconductors
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Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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Electrochemical and Quantum Chemical Study of Vanillin as a Green Corrosion Inhibitor for AA6061 in NaCl Solution
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Investigating the Performance of Membrane PEEK/PVA Modified with ZnO Nanoparticles in the Permeability and Selectivity of CO2/N2
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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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A Theoretical Study on Dopamine: Geometry, energies and NMR
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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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Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
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Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study
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A Density Functional Theory Study of Boron Nitride Nano-Ribbons
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Adaptive Neuro Fuzzy Sliding Mode Based Genetic Algorithm Control System to Control of a pH Neutralization Process
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Adsorptive removal of erythrosine dye from aqueous solutions using used cigarette filter ash loaded with Al/ Fe oxides
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Fast and efficient adsorptive removal of manganese (II) from aqueous solutions using malicorium magnetic nanocomposites
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Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
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Topological Relationship Between Wiener Index in contrast to the Energy and Electric Moments in TUVC6I2p, ill with Same Circumference and Various Lengths
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Topological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]
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Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices
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QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
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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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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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Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
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QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
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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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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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Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
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The correlations between chemical structure properties and antiviral activities of HIV-1 inhibitors: The study of anti-AIDS
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The evaluation of basis set, method and initial geometry on structural properties of a cyclic phosphor amidate compound by SPSS
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Synthesis and Ethanol Sensitivities of Sn02 nanowires Suvit
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Monajjemi.Majid
NBO Analysis of Structural and Electronic Properties in B30N20
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Topological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]
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Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
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The investigation of interaction between Cyclophosphamide and single walled Carbon Nanotubes with DFT and NBO
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Monajjemi.Majid
A Monte Carlo simulation study of vinblastine and vincristine as clinical drugs
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Monajjemi.Majid
Theoretical Study of Cr042- and Mo042- Interaction with Glysine via Comparing NMR, NBO and other chemical factors
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Novel Quaternary ammonium modified-tragacanth gum hydrogels for drug delivery applications with antimicrobial activity and release kinetic study
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Experimental modeling of the adsorption kinetics of Cd (II) and Pb (II) ions by Calix [4] arene surface
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Adsorption Study of the Lysozyme from aqueous solution onto Hydroxyapatite Nanopowders
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Heavy Metals (Cr (VI), Cd (II) and Pb (II)) Ions Removal by Modified Jute: Characterization and Modeling
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The study of Lysozyme adsorption onto 2-hydroxyethylmethacrylates and Silicon Hydrogel Contact Lenses
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The effect of polar copolymers in protein absorption on contact lenses on 2-Hydroxyethyl methacrylate(HEMA)
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Platinum Nanoparticles Deposited on Oxygen-Containing Functional Groups at Carbon Vulcane XC-72 as a Cathode Catalyst for Direct Methanol Fuel Cell
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Determination of the stability constant of Cobalt (ІІ) – Piroxicam complex by spectrophotometery
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Study of Catalyst and Co- Catalyst Effect on Preparation of Lubricant from Heavy Propylene Tetramer (HPT)
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Morphology investigation of alumina nano-powders prepared by a sol-gel combustion method
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Synthesis of carbon nano structures on Fe/Cu/AI and Al/Steel by thermal chemical vapour deposition method
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Preparation and Evaluation of NiFe204 and CuFe204 Nanoeatalysts by Combination of Sol- Gel Auto-Combustion Method and Irradiation Technique
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Adsorption of Benzyl Paraben Dye from Aqueous Solutions Using synthesized Mn-doped PbS (PbS:Mn) nanoparticles
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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
The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
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استفاده از روش مونت کارلو و یک رویکرد مدلسازی-بهینه سازی جدید در مطالعه QSAR داروهای اتوپوزید
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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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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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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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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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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Nabati.Mehdi
A quantum-mechanical investigation of functional group effect on 5,5'-disubstituted-1,1'-azobis(tetrazoles)
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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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DFT Study of 1H-tetrazolyl derivatives of tetrahedrane
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Theoretical study of tetrahedrane derivatives
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Nabati.Mehdi
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
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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A Theoretical Study on Interaction between Nitrobenzene and Carbon Nanotube (A DFT approach)
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Nitromethane - Methyl Nitrite Rearrangement: The Seising of Discrepancy between Theory and Experiment
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The Correlation between Molecular Graph Properties and Vibrational Frequencies
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Electronic Properties of Hydrogen Adsorption on the Silicon- Substituted C20 Fullerenes: A Density Functional Theory Calculations
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Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters
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A conceptual framework chemistry of Hydrated Cations: Part I. Preliminary Ab Initio and QTAIM calculations on [Li(H20)nr (n=1,2,3).
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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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Spectrophotometric Determination of Hg2+ after Solid Phase Extraction on Microcrystalline Naphthalene
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Rapid Determination of Chromium (M)lli Natural Water and Industrial Effluents Using Kinetic Speetrophotometric Method
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A New Hydroxylamine Electrochemical Sensor Based on an Oxadiazol Derivative and Multi-wall Carbon Nanotuhes Modified Glassy Carbon Electrode
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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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A Review of Current Trends and Advance in Analytical Methods for Determination of Simvastatin Electrochemical by different electrodes
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مطالعه فعالیت بیولوژیکی و چربی دوستی چند داکسازولیدین به عنوان مهارکننده سلول های سرطانی
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Flame atomic absorption spectrometric determination of Cd(II), Zn(II) and Ag(I) in different matrixes after solid phase extraction on sodium dodecyl sulfate (SDS)-coated alumina as their 2,3 Di Hydro 2,3 para tolyl Qinazoline (1 H)- 4 one (DPTQO)
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Niknam.Khodabakhsh
Flame atomic absorption spectrometric determination of Cd(II), Zn(II) and Ag(I) in different matrixes after solid phase extraction on sodium dodecyl sulfate (SDS)-coated alumina as their 2,3 Di Hydro 2,3 para tolyl Qinazoline (1 H)- 4 one (DPTQO)
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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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Synthesis and Solution Complexation Studies of a new Schiff base Ligand
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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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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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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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Theoretical study of structure spectral properties of Tacrine as Alzheimer drug
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Computational study of energetic, stability, and nuclear magnetic resonance of BN nanotube as a nanosensor
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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 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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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 effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study
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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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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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The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
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Monte Carlo and QSAR Study on Biological Activity of Several Platinum (IV) Anti Cancer Drugs
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Platinium-Ruthenium electrocatalyst as sensor electrode for methanol oxidation
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Determination of the stability constant of Cobalt (ІІ) – Piroxicam complex by spectrophotometery
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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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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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Use of semi empirical method for determination of the activation energy of thermal decomposition of vinyl ethers
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A theoretical study on methamphetamine: geometry, energies, NMR and NBO
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Ionic str4ength dependence of formation constants, complexation of Glycine with dioxouranium (VI) Ion
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Kinetics and Mechanism of Oxidation of n-Pentanol by Tetramethylammonium Fluorochromate
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Theoretical investigation of Malva sylvestris L. in point of Nano Bio Technology
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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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A Facile Catalytic- Kinetic Method for The Determination of Selenium (IV)
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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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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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Study of Catalyst and Co- Catalyst Effect on Preparation of Lubricant from Heavy Propylene Tetramer (HPT)
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Different substituted phenyl carbenes / silylenes/ germylenes: a survey of stability
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Determination of the stability constant of Cobalt (ІІ) – Piroxicam complex by spectrophotometery
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An Ab Initio SCF-MO Study of Conformational Properties of Cyclodeca-1,2,3-triene
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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Determination of ultra trace amount Chromium in water samples with the 1-(2-PyridylAzo)-2-Naphthol, (PAN) by the bromate ion in sulfuric acid with kinetic spectrophotometric method
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IR spectroscopic study and DFT calculations on dibenzyltin dichloride
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A Theoretical Study on Dopamine: Geometry, energies and NMR
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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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Theoretical study of molecular mechanics methods on clonidine drug-carbon nano cone
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Zare.K
Spectrophotometric Studies ot Vanadium(III) Ion Complexes th p-Sulfonatocalixf 41 acme In Aqueous Solution
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Vol.6,
Issue
3
- SummerYear
2009]
Zare.K
Thermal stability of P-lactoglobulin Bin the presence of ‘ucrnse, sorbitol and trehalose as osmolJtes
[
Vol.6,
Issue
2
- SpringYear
2009]
Zare.K
Catalyst of Ni and Co dependencies for carbon nanotube synthesis by CVD method
[
Vol.9,
Issue
4
- AutumnYear
2013]
Zare.K
Ionic Strength Dependence of Formation Constants: Complexation of Dioxouranium (VI) with Aspartic Acid
[
Vol.1,
Issue
1
- WinterYear
2004]
Zare.K
Complexation of alkali metal ions by totrapropary-monoamine and tetrabutoxytriamine utak] arenes
[
Vol.6,
Issue
3
- SummerYear
2009]
Zare.K
A theoretical study on methamphetamine: geometry, energies, NMR and NBO
[
Vol.11,
Issue
2
- SpringYear
2014]
Zare.K
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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Vol.6,
Issue
3
- SummerYear
2009]
Zare.K
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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Vol.9,
Issue
3
- SummerYear
2012]
Zare.K
Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
[
Vol.1,
Issue
1
- WinterYear
2004]
zare.karim
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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Vol.18,
Issue
2
- SpringYear
2021]
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]