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        1 - 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
        gholamhossein vatankhah mahboube ebrahimi darush jafari
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        2 - QSAR study of camptothecin derivatives as anticancer drugs using genetic algorithm and multiple linear regression analysis
        fatemeh shafiei Shahaboddin Mohebbi Tahereh Momeni Isfahani Mehdi Ahmadi Sabegh
        10.30495/jptc.2023.71661.1252
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        3 - 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.
        Banjo Semire O.F Adekunle S.B Akanji V Adewumi
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        4 - Prediction of the structural and spectral properties for L,L-ethylenedicysteine diethylester (EC) and its complex with Technetium-99m radionuclide
        Mehdi Nabati
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        5 - Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
        Masoome Sheikhi Siyamak Shahab Ali Ramazani
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        6 - Computational study of energetic, stability, and nuclear magnetic resonance of BN nanotube as a nanosensor
        Elham Pournamdari
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        7 - The effects of isomerism and side chain mutation on binding energy and NMR/NQR tensors of L-methionylasparagine and L-asparagylmethionine
        Arezoo Tahan
      • Open Access Article
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        8 - 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
        nima karachi
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        9 - Structural Characteristics and Reactivity Relationship of some Thiophene Derivatives
        Moriam Adeoye
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        10 - 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.
        gholamhossein vatankhah hboube ebrahimi darush jafari
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        11 - DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
        Morteza Rouhani
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        12 - Enhanced removal of Bismark Brown(BB) dye from aqueous solutions using activated carbon from raw Ziziphusspina-christi (ZSAC) Equilibrium, thermodynamic and kinetics
        gholamhossein vatankhah hossein koohmareh
      • Open Access Article
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        13 - TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
        Shimaa Hussien hussien moustafa Nabil H. Amin Magdy A. Ibrahima ELShimaa Ibrahima
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        14 - 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
        Mahdi Rezaei Sameti Zamanian F.
      • Open Access Article
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        15 - Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents
        farideh Keshavarz Rezaei
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        16 - Ultrasonic Assisted Removal of Methyl Paraben on Ultrasonically Synthesized Zn(OH)2-NPs-AC: Experimental Design Methodology
        Amir Abbas Ghazali
        10.30495/jptc.2021.20874
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        17 - QSPR Models to Predict Thermodynamic Properties of Alkenes Using Genetic Algorithm and Backward- Multiple Linear Regressions Methods
        fatemeh Ghaemdoost fatemeh shafiei
        10.30495/jptc.2021.20865
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        18 - Ultrasonic Assisted Adsorption of Crystal Violet (CV) Dye by CM-β-CD-Fe3O4NPs Synthesis: Experimental Design Methodology
        Ali Omaniziarati Gholamhossein Vatankhah
        10.30495/jptc.2021.20426
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        19 - Quantitative structure–property relationship models to Predict some thermodynamic properties of Imidazole Derivatives using molecular descriptor and genetic algorithm-multiple linear regressions
        shiva Moshayedi fatemeh shafiei Tahereh Momeni Isfahani
        10.30495/jptc.2021.20401
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        20 - Applying Kinetic Spectrophotometric Method for Megestrol Drug with Albizia Lebbeck Leaves-capped AgNPs Sensor Synthesis in Urine and Blood Samples
        leila niknam Farzaneh Marahel
        10.30495/jptc.2021.20872
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        21 - Structural Relationship Study of Octanol-Water Partition Coefficient of the Compounds in kesum Essential Oil Using GA-MLR and GA-ANN Methods
        Atefehsadat Navabi Tahereh Momeni Isfahani
        10.30495/jptc.2021.20873
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        22 - Quantitative Structure- Property Relationship(QSPR) Study of 2-Phenylindole derivatives as Anticancer Drugs Using Molecular Descriptors
        samira Bahrami fatemeh shafiei Azam Marjani Tahereh Momeni Isfahani
        10.30495/jptc.2021.20876
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        23 - Response Surface Methodology for Removal of Butyl Paraben Dye Using Zeolitic Imidazolate-67 Modified by Fe3O4 Nanoparticles from Aqueous Solutions
        Arezoo Ghadi Mohammad Pourmohammad Ali Aghababai Beni
        10.30495/jptc.2023.71309.1250
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        24 - The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19
        ghasem ghasemi babak motahary robabe Sayadikordabadi Asghar Alizadehdakhel
        10.30495/jptc.2023.65656.1233
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        25 - Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of 3-picrylamino-1, 2, 4-triazole by Density Functional Theory
        Mohammad Jalali Sarvestani Roya Ahmadi
        10.30495/jptc.2023.71194.1249
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        26 - Electrocatalytic properties of platinum and it's binary alloy with vanadium in oxygen reduction reaction(ORR)
        Mohammad Yari Sajjad Sedaghat Sherehjini
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        27 - Selective Separation and Transport of Ag+ ion Through a Bulk Liquid Membrane by Bis-2,6-dihydroxymethyl-4-haloanisole as Carrier
        10.30495/jptc.2021.21443
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        28 - Design and Evaluation and Synthesis a Starch-Capped Silver NanoParticles Sensor and Determination trace Sulfacetamide Drug in the Presence Sodium borohydride in Blood and Urine Samples with Kinetic Spectrophotometric Method
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        29 - Molecular Dynamics Simulation of Water Transportation through Aquaporin-4 in Rat Brain Cells
        F. Kaveh K. zare S. Salemi A. R. Illchani N. Khodayari
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        30 - The Interaction between Dopamine and Carbon Nanotube: A DFT and NBO Approach
        M. Hesabi
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        31 - A Priori Prediction of Tissue: Plasma Partition Coefficients (Log BP) of Drugs to Facilitate the Use of MLR and MLR-GA Methods
        Z. Bayat J. Movaffagh
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        32 - Thermodynamics Study of Polychlorinated Biphenyls (PCBs) Passing through SWNT and Their Removal from Environment
        L. Mahdavian
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        33 - Theoretical Study of Exo-Endo Interconversion of [(R)Ca1ixTMS2]Sn
        Avat (Arman) Taherpour
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        34 - NBO Analysis of Structural and Electronic Properties in B30N20
        Rahim Esmkhani Majid Monajjemi
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        35 - Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)
        Elahe Rajaeian Avat (Arman) Taherpour
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        36 - Platinium-Ruthenium electrocatalyst as sensor electrode for methanol oxidation
        Mohammad Yari Sajjad Sedaghat
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        37 - Application of a dioxime-PVC electrode to potentiometric studies of Cr(III) ion
        H. Aghaie M. H. Felcri M. Arvand K. Zare M. Aghaie
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        38 - Experimental and theoretical studies on green and efficient deoximation using H202 catalyzed by Montmorillonite-K10 supported MnC12
        M. Mahmoodi Hashemi A. Ezabadi Gh.R. Najafi F. Mollaamin M. Khaleghian R. Zhiani
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        39 - Volumetric and viscometric studies of -alanine in water and ammonia solution at 293- 313K: structure making and breaking effect
        Adeogun Abideen Idowu Idowu Abidemi Mopelola Ahmed Sikiru Akinyeye Ayegbusi Samuel Temitope
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        40 - When the classical & quantum mechanical considerations hint to a single point; a microscopic particle in a one dimensional box with two infinite walls and a linear potential inside it
        M. Monajjemi K. Zare A.R. Zieglari
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        41 - The correlations between chemical structure properties and antiviral activities of HIV-1 inhibitors: The study of anti-AIDS
        Majid Monajjemi Anita Abedib
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        42 - CATALYTIC REFORMING OF n-HEPTANE ON PLATINUMNIOBIUM SUPPORTED ON GAMMA-ALUMINA
        Mehdi Vadi Gholamreza Farmani Hamidreza Seyedjafari M. Sohrabi
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        43 - Topological Relationship Between One-Dimensional Box Model and Randić Indices in Linear Simple Conjugated Polyenes
        Avat (Arman) Taherpour Fatemeh Shafiei
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        44 - Comparison of the vanadyl-selective electrodes prepared by sol–gel and PVC membrane techniques
        Masoud Giahi Mohammad Ali Bagherinia Azin Azari
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        45 - An Ab initio and chemical shielding tensors calculations for Nucleotide 5’-Monophosphates in the Gas phase
        M. Monajemi M.A Seyed Sajjadi R. Sayyadi G. Ghassemi
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        46 - Steric effects on the Singlet–Triplet Energy Gaps of Seven Membered Ring silylenes, R2C6H6Si
        M. Nikoorazm E. Vessally E. Abolfathi
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        47 - A Theoretical Study on Cycloaddition of 2-Ethyny1-2, 3-Dihdrofurane and Phenyl Azide
        Seyyed Amir Siadati Mohammad R. Zardoost Mohamad R. Emadi Toosse
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        48 - Zeolite catalyzed alkylation of toluene by alcohol
        F. Sheikhoslamy M. Yari K. Ahzan
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        49 - Catalytic Reforming of n-Heptane on Platimum - Rhenium Supported on Gamma-Alumina
        M. Vadi M. Bazargani N. Astaneh M. Alipour
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        50 - Sn (II) Ion- Selective Membrane Electrode based on Dibenzo-18-Crown-6
        H. Aghaie M. Giahi1 Giahi M. Aghaei M. Arvand3
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        51 - Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms
        M. Sayadian L. Pishkar F. Mollaamin
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        52 - Thermodynamics for complex of L-histidine with molybdenum (VI) Model Anticancer Drugs
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        53 - Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems
        Shruti Sharma Bipul Bezbaruah
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        54 - Ab initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase
        K. Zare M. Monajjemi E. Zahedi H. Aghaie
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        55 - Chromium(III) ion selective electrode based on 2H-1,4-benzothioazine-2,3(4H)dione dioxime as a neutral carrier
        M.H. Fekri M. Darvishpour E. Baghdar
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        56 - Ab initio study , Investigation of NMR ShieldingTensors and Vibrational frequency of 5-S-cysteinyldopamine
        D.M Boghaei A. Bagheri
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        57 - A Density Functional Theory Study of Boron Nitride Nano-Ribbons
        Mahmoud Mirzaei
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        58 - Theoretical study of Drug Delivery on Sn (CH3)2(N-acetyl-L-cysteinate) with SWCNT
        A. Sobhanmanesh F. Mollaamin
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        59 - Topological relationship between electric quadrupole, hexadecapole moments, energy and Padmakar–Ivan index in armchair polyhex nanotubes TUVC6[2p,q]
        Majid Monajjemi Esmat Mohammadinasab Fatemeh Shafiei
      • Open Access Article
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        60 - Theoretical study of catalytic reduction of CO2 with H20 by BOC-MP method
        B. Khezri K. Zare H. Aghaie
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        61 - CATALYTIC REFORMING OF n-HEPTANE ON PLATINUM-TUNGSTEN SUPPORTED ON GAMMA-ALUMINA
        M. Vadi A. Safavi A. Jamshidi
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        62 - An ab initio quantum chemical investigation of TOMS nmr SHIELDING TENSORS IN Adenine-thymine, Adenine-uracil, Guanine-Cytosine & uracil-quartet: comparison between theoretical and experimental results
        H. Aghaie M. Monajjemi Gh. Ghassemi M. Kia
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        63 - Thermodynamic study of Ion pairing in Aqueous solution of 〖BaF〗_2 by (_^19)F-NMR
        H. Aghaie A. Aliabadi B. Sohrabi M. Aghaie M. R. Sohrabi
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        64 - Kinetic spectrophotometric determination of trace amounts of nitrite ion using potassium bromate-murexide mixture in acidic media
        M.S Tehrani A. Parchehbaf
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        65 - Thermal stability of a-Lactalbumin in the presence of various sugars as osmolytes
        Zohreh Saadati Lida Asadi Samaneh Larki
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        66 - Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene
        Saeed Taghavaei-Gangali Saeed Taghvaei-Gangali shahram moradi Kambiz Tahvildari
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        67 - Electronic effects on singlet-triplet energy splittings in aryl-cyclopentadienylidenes
        M. Mahmodi Hashemi M. Mirzaei
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        68 - Complexation of Calcium and Barium Cations by Calix[4]arene-bis-crown-6
        Poupak Khazaeli-Parsa Mehran Aghaie Karim Zare Azar Bouzaripour
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        69 - Synthesis of Some New Azo Disperse Dyes and Investigation of Their Solvatochromic Effect
        M. Yari S. Sedaghat M. Hekmati
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        70 - Determination of Activity and Selectivity of n-Heptane by Reforming Catalytic Pt-V Supported on gamma-Alumina
        Mahdi Vadi Najimeh Astaneh
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        71 - The Study of Salvation Effects on an Anticancer Drug; Dammarane sapogenins
        M. Hooshyari F. Naderi M. Yari M. Khaleghian M. Monajjem
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        72 - Structural investigation of complexes formed by DNA+CTAB and DNA+DDAB and Designing a method to increase salt ions between DNA and the Surfactant rods.
        E. Moniri F. Gharib M. Monajjemi K. Zare
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        73 - Manganese (M-selective PVC membrane electrode based on N-(2- picolinamido ethyl)-Picolinamide as ionophore
        M. Zawari M. Giahi H. Aghaie
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        74 - Spectrophotometric Determination of Hg2+ after Solid Phase Extraction on Microcrystalline Naphthalene
        M. Reza Shishehbore Navid Nasirizadeh A. Mohammad Akhoundi
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        75 - The comparison synthesis of CuNiO2 nanoparticles prepared by sol-gel auto-combu on, microwave and co-precipitation techniques
        S. A. Khorrami N. Naderfa M. G. G Mojadad
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        76 - Determination of water quality parameters and nutrient level with an Adaptive Neuro- Fuzzy Inference System
        Maryam Hosseini Jalal Javadi moghaddam
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        77 - Physical adsorption between mono and diatomic gases inside of Carbon nanotube with respect to potential energy
        B. Esfandiari M. Monajjemi
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        78 - Comparison of adsorptions of phenol,p-nitrophenol and 1-butanol on the activated carbon
        Gholam-Hossein Naficy Seyed, Saeed Reza Emamian
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        79 - Equilibrium Constants of the Complexation of Molybdate Ion with para-Sulfonatocalix [4] arene in aqueous media
        S. Z. Hashemizade Ali Farajtabar
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        80 - A simulation study of calcium release channel
        M. Monajjemi H.H. Haeri S.M. Hashemianzadeh M. Gholami K. Zare
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        81 - Kinetic and thermodynamic studies of adsorption of 4-chloro-2-nitrophenol on nano- Ti02
        A. Mehrizad K. Zare H. Dashti Khavidaki S. Dastmalchi H. Aghaie P. Gharbani
      • Open Access Article
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        82 - Theoretical Investigation of Solvent Effects on The Structural Changes of I - Pentadeeanoyl - 2 - Docosahexaenoyl - Sn - Glycerol -3 -Phosphoeholin
        N. Khodayari B. Honarparvar M. Monajjemi K. Parivar
      • Open Access Article
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        83 - SYNTHESIS, X-RAY CRYSTAL STRUCTURE AND IR STUDY OF NEW TRINUCLEAR, BASE CARBOXSYLATE COMPLEX OF [Cu3O(OAc)6(H2O)3]Cl.CH3OH.6H2O
        Massoud Rafizadeh
      • Open Access Article
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        84 - Preparation and Evaluation of NiFe204 and CuFe204 Nanoeatalysts by Combination of Sol- Gel Auto-Combustion Method and Irradiation Technique
        S. A. Khorrami S. A. Sepehr S. Manie G. Mahmoudzadeh S. Madani S. Moradi A. M. Sharif F. Gharib R. Lotfi
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        85 - A Theoretical Investigation of Kinetics and Mechanism of Aza-Cope Rearrangement
        M. R Zardoost S. A. Radati H. Davoudi M. R. Gholami H. Aghaei
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        86 - Thermodynamics of the solubility of potassium nitrate in the mixed solvent, Ethanol+Water, and the related Ion-association
        M. Aghaie F. Ghaemi Amiri M. Giahi
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        87 - Structural characterization of Ba1.„Sr„TiO3 (BST) nanopowders prepared by stearic acid gel method
        K. Zare M. Enhessari S. Khanahmadzadeh H. Mossallaea M. S. Sadjadi
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        88 - Preparation and Application of Al3+ - Sensor Based On (2Z) — Methyl 2 — ((z) (p-tolylimino) -3-Ethyl —4-0xothiazolidin —5— Ylidene Acetate in PVC Matrix
        J. Mofidi A. Islamnezhad F. Pour Hojat
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        89 - Thermodynamics of Ion Association in the Saturated Solution of The Mixed Solvent (methanol+water) and Ion Pairing at 25.0°C
        M. Aghaie S. Moradian
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        90 - Study of Catalyst and Co- Catalyst Effect on Preparation of Lubricant from Heavy Propylene Tetramer (HPT)
        Omid Moradi Mohammad Yari S. Sedaghat
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        91 - Determining the Characteristics of Biodiesel from a Mixture of Crop Mustard and Edible Waste Oil using heterogeneous Calcium Oxide Catalyst Prepared from Fish bones and Predicting the Efficiency of Biodiesel using Taguchi Statistical Program Model
        10.30495/jptc.2022.21451
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        92 - Electrochemical Synthesis of 5-Aminosalicylic Acid from 5- Nitrosalicylic Acid in Alkaline Media
        Mohammad Bagher Pasha Zanousi Mohammad Saber Tehrani Ardeshir Kermani Jilla Khalighie
      • Open Access Article
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        93 - Synthesis of TiO2 nanoparticles in pure 2-hydroxyethylammonium formate room temperature ionic liquid and investigation of its photocatalytic properties
        Mohammad Khodadadi Moghaddam Fatemeh Fallah Iri Sola
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        94 - N-phenylaza-15-crown-5 as Ionophore in PVC-Matrix for Fe2+ - Selective Sensor
        M. Aghaie M. Giahi H. Aghaie M. Pournaghdy
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        95 - Quantitative Correlation of Randić Indices and Adjacency Matrixes With Dewar Resonance Energy of Annulene Compounds
        A. Taherpour F. Shafiee
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        96 - Solvent Effects on Tautomeric and Microscopic Protonation Constants of Glycine in Different Aqueous Solutions of 1,4-Dioxane
        M. S. Mojarrad A. Shamel F. Gharib
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        97 - Platinum Nanoparticles Deposited on Oxygen-Containing Functional Groups at Carbon Vulcane XC-72 as a Cathode Catalyst for Direct Methanol Fuel Cell
        Sajjad Sedaghat Sharehjini Mohammad Yari Omid Moradi
      • Open Access Article
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        98 - Adsorption of Pyrazolone[HPMSP1,Calix[4]-arene, Cu(II) and Cs on Carbon Nanotube
        M. Vahdi K. Zare A. Boos Z. Asfari
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        99 - Efficient one-pot synthesis and characterization of 13-Acetyl-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo [7.3.1.0^2,7] trideca-2,4,6-triene
        Hojatollah Salehi Mohammad Rabbani Qian-Rong Li Qing-xiang Guo
      • Open Access Article
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        100 - The pH effect on complexation of Alkali metal cation by p-sulfonatocalix (4) arene in aqueous solution
        K. Zare N. Osouleddini
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        101 - Thermodynamics of Non-Ideality and Ion-Association in Saturated Aqueous Solution of Barium Nitrate at 25° C
        M. Aghaie H. Aghaie A. Ebrahimi
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        102 - Chromium (III) ion selective electrode based on di(benzylamino)glyoxime
        M. Kia H. Aghaie M. Arvand K. Zare M. Aghaie
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        103 - A Theoretical Study on Interaction between Nitrobenzene and Carbon Nanotube (A DFT approach)
        N. Malmir B. Naderi F. Naderi
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        104 - Non- Ideality and Ion-Pairing in Saturated Aqueous Solution of Lithium Carbonate at 25°C
        M. Aghaie B.Sh. Broojeni
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        105 - Spectrophotometric Studies ot Vanadium(III) Ion Complexes th p-Sulfonatocalixf 41 acme In Aqueous Solution
        Karim Zare Meysam Shirmohammadi Morteza Keshavar Farrokh Gharib
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        106 - Copper Nanoparticles as efficient catalyst for the transesterification of p -ketoesters
        A.R. Abbaspour P. Moaveni
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        107 - Synthesis, Characterization, and Crystal Structure Determination of Iron(III) Hetero-ligand Complex Containing Chloride, Dimethyl sulfoxide, pyridine-2, 6-dicarboxylate and Water, [Fe(Pydc)(DMSO)(H2O)Cl]
        M. Rafizadeh
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        108 - Basis Set Effects in Density Functional Calculations and BSSEcorrected on the Molybdate-Phosphonic acid Complex
        M. H. Ghorbani M. R. Talei-Bavil-Olyai H. Aghaie
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        109 - Comparative analysis of chemical and thermal denatured 13-lactoglobu1in A in the presence of sugar osmolytes
        Zohreh Saadati Mehran Aghaie A. K. Bordbar
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        110 - Photocatalytic Degradation of Triton X-100 by Zinc oxide Nanoparticles
        Masoud Giahi Faegheh Ghanbari
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        111 - Physicochemical study on some cycloltexa peptide nano rings at body normal temperature; novel biodegradable and biocompadble vectors in drug delivery
        B. Khalili Hadad K. Parivar P. Yaghmaei M. Sayadian
      • Open Access Article
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        112 - Investigation of Activity and Selectivity of n-Heptane by Reforming Pt-Ta Catalyst Supported on y-Alumina
        M. Vadi
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        113 - The hydrothermal synthesis and X-ray crystal structure of Ag (1)-4, 4"-bipyridine-based coordination polymer
        R. Ranjineh Khojasteh F. Hosseinpouli Mamaghan S. Ghelengi
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        114 - A New99m Tc Generator using Cerium (IV) Oxide as an Adsorbent for99 Mo
        H. Salehi E. Mollarazi H. Abbasi M. Zoghi
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        115 - Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
        Mehrnoosh Khaleghian Majid Monajjemi
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        116 - Excited-State Parameters of One Intramolecular Cyclization by TD-DFT, CIS and ZINDO Methods
        M. H. Ghorbani R. Fazaeli A. Ghoorchian
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        117 - Theoretical thermodynamic study of Pyrazole in the gas phase at the different temperatures
        Farideh Keshavarz Rezaei
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        118 - Free Energies of Electron Transfer, Electrochemical Properties, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationship Studies of Cn@X-[HbA] (HbA=Hemoglobin A; X= - and -Fumarate Crosslinked Hemoglobins (XL & XL)) Nanostructure Complexes
        Avat (Arman) Taherpour Leila Fathiyan
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        119 - photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation
        M. Giahi F. Ghanbari
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        120 - Complexation of L-arginine and L-lysine by p-sulphonatocalix (61 arene in aqueous solution at different temperatures
        M. Faraji K. Zare A. Farajtabar F. Gharib
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        121 - An ab initio study of metalated CMP,UMP& dTMP at HF level:Bond energies and isotropic NMR shielding of atoms
        M.A Seyed Sajjadi R. Sayadi G. Ghasem KH. Kalateh
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        122 - Study on the Interaction of Dioxovanadium(V) with Nitrilotriacetic Acid at Different Ionic Strengths by Using Extended Debye-Hiickel Equation
        K. Zare S. Rezaienejad
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        123 - Investigation of the Molecules Obtained from Marijuana: Computational Study of Spectral, Structural and Docking
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        124 - The kinetic parameters of drug compounds adsorption onto mesoporous materials
        Masoud. Giahi Abdollah. Falah Shojaie Farkhondeh. Mirsfa Moqadam
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        125 - Morphology investigation of alumina nano-powders prepared by a sol-gel combustion method
        S. A. Khorrami R. Lotfi M. A. Baghchesara S. Moradi
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        126 - The Effect of Hydrogen Bonding and π–π Stacking to Stabilization of 3D Networks of a New Proton Compound, (a-6-mpyH)(Hpyzd) H2O
        R. Mohammadinasab M. Tabatabaee M. A. Seyed Sadjadi
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        127 - Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
        Atefe Nejati Hasan Tashakori Faramarz Kanjouri Amirhosein Esmailian
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        128 - A New Hydroxylamine Electrochemical Sensor Based on an Oxadiazol Derivative and Multi-wall Carbon Nanotuhes Modified Glassy Carbon Electrode
        Navid Nasirizadeh Mohammad Saber Tehrani M. Reza. Shishehbore Ah Karimi Mohammad. A. Shirgholami
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        129 - Singlet-Triplet Energy Splitting of Divalent Five-Membered Ring NI2C2H2C (M = N,P, As and Sb)
        M. M. Hashemi M. Mirezaei
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        130 - Investigation of substrate properties of non-woven polyester textiles using nano-urea
        10.30495/jptc.2021.21448
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        131 - Theoretical study of structure spectral properties of Tacrine as Alzheimer drug
        Leila Pishkar Parisa R. Jamaat Somayeh Makarem
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        132 - Design and Evaluation Sensor Starch-capped ZnSNPs Synthesis for Determination trace Tartrazine Color in Real Samples with Kinetic Spectrophotometric Method
        10.30495/jptc.2022.21454
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        133 - X-ray Charge-Dens Study of 5-Chloro-8-hydroxy-6-methyloaphthalene-l.4-dione: A Hydroxynaphthoquinone Derivative
        Zahra Sharafi
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        134 - Solvent Effect Study on the Stability Energies of Glycine, Alanine and Valine Amino Acides
        F. Keshavarz Rezaei A. Taherpour M. Aghaie
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        135 - Computational Investigation on Alcohol Nano Sensors in Combination with Carbon Nanotube; A Monte Carlo and Ab Initio Simulation
        M. Falahati M. Monajjemi
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        136 - Impact of Lewis acid catalyst on the regioselectivity and kinetics of 1,3-dipolar cycloaddition reaction of azidobenzene with acrolein: a theoretical study using DFT
        F. Shams S. R. Emamian E. Zahedi
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        137 - Synthesis of 1, 3-diaryl Substituted Iodobenzene Derivatives
        Farnaz Abolfazli- Khosroshahi Akbar Saeidniya
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        138 - DFT Study and Comparison between B6C4Si and C16 Clusters as a Vitamin C Carrier
        T. Ardalan M. Monajjemi H. Aghaie P. Ardalan
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        139 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
        L. Mahdavian
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        140 - Entanglement in the XZ spin chain model in the external magnetic field
        F. Soheilian M.R. Soltani M. Firoozi S. A. Hosseini
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        141 - Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
        Soheila Ghaderi Fariba Sadat Hashemi Ladan Mokhbersafa
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        142 - Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
        Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan
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        143 - QSPR models to predict thermodynamic properties of some mono and polycyclic aromatic hydrocarbons (PAHs) using GA-MLR
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        144 - Determination of ultra trace amount manganese (II) in water samples with the 1-(2-PyridylAzo)-2-Naphthol, (PAN) by the bromate ion in sulfuric acid with kinetic spectrophotometric method
        M. R. Froudi Jahromi S. Zandifar S. Bagheri R. Pour Gholam
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        145 - Modeling of the adsorption kinetics of Basic Red 46 on single-walled carbon nanotube and carboxylate group functionalized single-walled carbon nanotube
        D. Robati A. Fakhri
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        146 - A theoretical study on halogen-π interactions: X-C2-Y…C8H8 complexes
        Pouya Karimi
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        147 - IR spectroscopic study and DFT calculations on dibenzyltin dichloride
        Leile Rahimi Ahar Moayad Hossaini Sadr Karim Zare Samad Motameni Tabatabei
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        148 - Design and Evaluation of a Mercury (II) Optode Based on Immobilization of 5, 6 Di methyl -1- (4 methyl benzyl) -2- para tolyl-1H-benzimidazole (DMBPTBI) on a Triacetylcellulose Membrane and Determination in Various Samples
        A. Mosadeghei Fard G. H. Vatankhah
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        149 - Thermodynamic study of ion- association in KNO3 solution in the mixed solvent (water +methanol)
        M. Aghaie A. Asr
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        150 - 4D-QSAR analysis and pharmacophore modeling: propoxy methylphenyl oxasiazole derivatives by electron conformatitional-genetic algorithm method
        Burak Tüzün Sevtap Çağlar Yavuz Emin Sarıpınar
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        151 - A Study on the Electronic and Structural Properties of C12X8 (X = C, B) and Their Interaction with Glycine with Potentially Drug Delivery Vessels
        F. Naderi H. Hajizadeh H. Masoomi A. R. Salehi
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        152 - Theoretical studies on corrosion inhibition of N-aroyl-N’-aryl thiourea derivatives using conceptual DFT approach
        Semire Banjo Oyebamiji Abel Kolawole
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        153 - Boron nitride substituted 12-crown-4 ether: Theoretical study of structural, thermochemical, and nonlinear optical properties
        Nasrin Zeighami Asadollah Boshra Ahmad Reza Oliaey
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        154 - The study of Lysozyme adsorption onto 2-hydroxyethylmethacrylates and Silicon Hydrogel Contact Lenses
        Omid Moradi
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        155 - Electronic effects at 2 and 7 α–position of divalent unsaturated seven membered ring R2C6H6M (M=C, Si, Ge, Sn, Pb)
        Eynallah Abolfathi
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        156 - Theoretical study of the effects of substituent and quadrupole moment on π-π stacking interactions with coronene
        Pouya Karimi
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        157 - Theoretical thermodynamic study on the interaction between Fe2+ ion and Pyrazole
        Farideh Keshavarz Rezaei
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        158 - Thermodynamic Parameters of Cis-Platin and Trans-Platin Complexes with Guanine in Water, A DFT Study
        F. R. Nikmaram M. Khan Ahmadi
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        159 - MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems
        Shruti Sharma Bipul Bezbaruah
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        160 - Investigation of analytical and numerical solutions for one-dimensional independent-oftime Schrödinger Equation
        Z. Yousefian Molla Gh. Islampour
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        161 - Prediction of accurate pKa values of some α-substituted carboxylic acids with low cost of computational methods
        M. Abul Kashem Liton Sabrina Helen Mukta Das Dipa Islam M. Rabiul Karim
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        162 - Theoretical thermodynamic study of CO and O2 Adsorption on Au14 Nano Cluster
        Somayyeh Ghasemlou H. Aghaie
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        163 - Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
        Maryam Ahangari-Givi Jamshid Najafpour Khadijeh Kalateh
      • Open Access Article
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        164 - The investigation of ionic association in the CdF2 solution with the mixed solvent (water +ethanol +propanol) at 25°C
        M. Aghaie T. Jalili
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        165 - 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
        Mohamad Reza Froudi Jahromi Samira Zandifar Ehsan Pakdaman Fatemeh Tavakoli Saideh Bagheri
      • Open Access Article
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        166 - Investigate formation constant of some Amino Acids by p-sulphonato-calix (4) arene in Aqueous Solution
        Noushin Osouleddini
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        167 - Theoretical Thermodynamic Study of Solvent Effects on Serine and Threonine Amino Acids at Different Temperatures
        Farideh Keshavarz Rezaei
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        168 - A competitive Diels-Alder/1, 3-dipolar cycloaddition reaction of1-H-imidazole 3-oxide toward sulfonyl methane. A DFT study on the energetic and regioselectivity
        Saeedreza Emamian
      • Open Access Article
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        169 - FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
        Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan
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        170 - Theoretical study of - stacking interactions in substituted-coronene||cyclooctatetraene complexes: A system without direct electrostatic effects of substituents
        Pouya Karimi
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