List of Articles

• Open Access Article
  • Abstract Page
  • Full-Text
  
  1 - Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices
  Esmat Mohammadinasab
• Open Access Article
  • Abstract Page
  • Full-Text
  
  2 - Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
  fatemeh shafiei
• Open Access Article
  • Abstract Page
  • Full-Text
  
  3 - Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides
  zohreh khoshraftar Ali Shamel
• Open Access Article
  • Abstract Page
  • Full-Text
  
  4 - Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
  neda ahmadinejad arezoo tahan Mostafa Talebi Tari1
• Open Access Article
  • Abstract Page
  • Full-Text
  
  5 - The effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study
  Mahdi Rezaei Sameti M. Rakhshi
• Open Access Article
  • Abstract Page
  • Full-Text
  
  6 - Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids
  farideh Keshavarz Rezaei
• Open Access Article
  • Abstract Page
  • Full-Text
  
  7 - 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
  Masoome Sheikhi Siyamak Shahab
• Open Access Article
  • Abstract Page
  • Full-Text
  
  8 - Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf
  gholamali haghdoost hosain aghaie Majid Monajjemi
• Open Access Article
  • Abstract Page
  • Full-Text
  
  9 - Determination of thermodynamic parameters of produced materials from (ATTZ) with boron nitride nano-cages in different conditions of temperature, with DFT method
  Roya Ahmadi Elahe Sadat Mirkamali