1.

Ab initio Study of Simple Mg-Ene Reactions of Propenyl Magnesium Halides and Ethylene (Type-I Intermolecular Reaction)

صفحه 1-10
Elahe Rajaeian؛ Avat (Arman) Taherpour

2.

Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters

صفحه 11-16
Gholam Hossein Shafiee؛ Jamshid Najafpour؛ Seyed Abdolreza Sadjadi

3.

Chromium(III) ion selective electrode based on 2H-1,4-benzothioazine-2,3(4H)dione dioxime as a neutral carrier

صفحه 17-22
M.H. Fekri؛ M. Darvishpour؛ E. Baghdar

4.

Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations

صفحه 23-32
F. Mollaamin؛ T. Nejadsattari؛ I. Layali

5.

Kinetic and thermodynamic studies of adsorption of 4-chloro-2-nitrophenol on nano- Ti02

صفحه 33-38
A. Mehrizad؛ K. Zare؛ H. Dashti Khavidaki؛ S. Dastmalchi؛ H. Aghaie؛ P. Gharbani

6.

Effects of solvents polarity parameters on heterogeneous catalytic hydrogenation of cyclohexene in molecular solvents

صفحه 39-46
Mohammad Khodadadi-Moghaddam؛ Faramarz Sadeghzadeh Darabi

7.

Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies

صفحه 47-54
A. Nouni؛ M. Yousefi؛ M. Mirzaei

8.

photocatalytic degradation of Triton X-100 in aqueous phase with Zinc oxide as a nanoparticle under UV light irradiation

صفحه 55-60
M. Giahi؛ F. Ghanbari

9.

Classical DFT Study on Atomic Electronegativity

صفحه 61-66
Mohammad Hossien Ghorbani؛ Reza Fazaeli؛ Arash Ghoorehian

10.

Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study

صفحه 67-76
M. Monajjemi؛ A. Eghdami


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