1.

Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices

صفحه 219-226
Esmat Mohammadinasab

2.

Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices

صفحه 227-235
fatemeh shafiei

3.

Adsorption of Malachite Green Dye from Aqueous Solutions Using Roots of Azolla Filiculoides

صفحه 237-252
zohreh khoshraftar؛ Ali Shamel

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

صفحه 253-258
neda ahmadinejad؛ arezoo tahan؛ Mostafa Talebi Tari1

5.

The effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study

صفحه 259-270
Mahdi Rezaei Sameti؛ M. Rakhshi

6.

Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids

صفحه 271-276
farideh Keshavarz Rezaei

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

صفحه 277-288
Masoome Sheikhi؛ Siyamak Shahab

8.

Investigation of Langmuir and Freundlich Adsorption Isotherm of Pb2+ Ions by Micro Powder of Cedar Leaf

صفحه 289-296
gholamali haghdoost؛ hosain aghaie؛ Majid Monajjemi

9.

Determination of thermodynamic parameters of produced materials from (ATTZ) with boron nitride nano-cages in different conditions of temperature, with DFT method

صفحه 297-302
Roya Ahmadi؛ Elahe Sadat Mirkamali


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