List of Articles 1

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  1 - 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
• Open Access Article
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  2 - Removal of Reactive Red 120 from Aqueous Solutions Using Albizia lebbeck Fruit (Pod) Partical as a Low Cost Adsorbent
  gholamali haghdoost
• Open Access Article
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  3 - 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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  4 - Elimination of Reactive Red 120 (RR-120) Dye from Aqueous Solution by the using of Date Cores Particles
  gholamali haghdoost
• Open Access Article
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  5 - 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
  Mahdi Rezaei Sameti Samira Dosti Tapgombadi
  10.30495/jptc.2021.20866
• Open Access Article
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  6 - 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
• Open Access Article
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  7 - 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
• Open Access Article
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  8 - Sensing of Methanol and Ethanol with Nano-Structured SnO2 (110) in Gas Phase: Monte Carlo Simulation
  N. Mangkorntong L. Mahdavian F. Mollaamin M. Monajjemi
• Open Access Article
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  9 - 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
• Open Access Article
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  10 - The correlations between chemical structure properties and antiviral activities of HIV-1 inhibitors: The study of anti-AIDS
  Majid Monajjemi Anita Abedib
• Open Access Article
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  11 - CATALYTIC REFORMING OF n-HEPTANE ON PLATINUMNIOBIUM SUPPORTED ON GAMMA-ALUMINA
  Mehdi Vadi Gholamreza Farmani Hamidreza Seyedjafari M. Sohrabi
• Open Access Article
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  12 - Topological Relationship Between One-Dimensional Box Model and Randić Indices in Linear Simple Conjugated Polyenes
  Avat (Arman) Taherpour Fatemeh Shafiei
• Open Access Article
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  13 - Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study
  Seeid Abedini Khorrami Shahram Moradi Hajar Mohammadzadeh Bahar
• Open Access Article
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  14 - A Theoretical Study on Cycloaddition of 2-Ethyny1-2, 3-Dihdrofurane and Phenyl Azide
  Seyyed Amir Siadati Mohammad R. Zardoost Mohamad R. Emadi Toosse
• Open Access Article
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  15 - Thermodynamics for complex of L-histidine with molybdenum (VI) Model Anticancer Drugs
  
• Open Access Article
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  16 - Ab initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase
  K. Zare M. Monajjemi E. Zahedi H. Aghaie
• Open Access Article
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  17 - Ab Initio Quantum Chemical Studies of 15N and 13C NMR Shielding Tensors in Serine and Complexes of Serine- nH2O: Investigation on Strength of the CαH…O Hydrogen bonding in the Amino Acid Residue.
  M. Monajjemi T. Karimkeshteh F. Mollaamin
• Open Access Article
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  18 - Spectrophotometric Determination of Hg2+ after Solid Phase Extraction on Microcrystalline Naphthalene
  M. Reza Shishehbore Navid Nasirizadeh A. Mohammad Akhoundi
• Open Access Article
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  19 - Investingation and Chemisorption study of Oxygen Atoms and Cr (100) surface by DFT calculation
  A. Kazemi Babaheydari K. Zare F. Mollaamin
• Open Access Article
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  20 - Comparison of adsorptions of phenol,p-nitrophenol and 1-butanol on the activated carbon
  Gholam-Hossein Naficy Seyed, Saeed Reza Emamian
• Open Access Article
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  21 - CO Adsorption on the V (100) Surface: A Density Functional Study
  F. Mollaamin M.T. Baei A. Kazemi Babaheydari
• Open Access Article
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  22 - Application of the Freundlich Langmuir Temkin and Harkins-Jura adsorption isotherms for some amino acids and amino acids complexation with manganese kn(ll) on carbon nanolube
  Mehdi Vadi Marjan Abbasi Marjan Zakeri Bita Jafari Yazdi
• Open Access Article
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  23 - 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
• Open Access Article
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  24 - 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
• Open Access Article
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  25 - Comparative analysis of chemical and thermal denatured 13-lactoglobu1in A in the presence of sugar osmolytes
  Zohreh Saadati Mehran Aghaie A. K. Bordbar
• Open Access Article
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  26 - Photocatalytic Degradation of Triton X-100 by Zinc oxide Nanoparticles
  Masoud Giahi Faegheh Ghanbari
• Open Access Article
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  27 - photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation
  M. Giahi F. Ghanbari
• Open Access Article
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  28 - The kinetic parameters of drug compounds adsorption onto mesoporous materials
  Masoud. Giahi Abdollah. Falah Shojaie Farkhondeh. Mirsfa Moqadam
• Open Access Article
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  29 - Molecular docking and in silico ADME prediction of Ticagrelor as an antagonist of the P2Y12 receptor
  
• Open Access Article
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  30 - 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
• Open Access Article
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  31 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
  L. Mahdavian
• Open Access Article
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  32 - Entanglement in the XZ spin chain model in the external magnetic field
  F. Soheilian M.R. Soltani M. Firoozi S. A. Hosseini
• Open Access Article
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  33 - 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
• Open Access Article
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  34 - 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
• Open Access Article
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  35 - 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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  36 - Boron nitride substituted 12-crown-4 ether: Theoretical study of structural, thermochemical, and nonlinear optical properties
  Nasrin Zeighami Asadollah Boshra Ahmad Reza Oliaey
• Open Access Article
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  37 - Theoretical thermodynamic study of CO and O2 Adsorption on Au14 Nano Cluster
  Somayyeh Ghasemlou H. Aghaie
• Open Access Article
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  38 - 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
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  39 - 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