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Open Access Article
1 - 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
2 - Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms
M. Sayadian L. Pishkar F. Mollaamin -
Open Access Article
3 - 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
4 - Experimental and theoretical studies on efficient regeneration of carbonyl compounds from oximes under green, mild and completely heterogeneous nanocatalysis
Gh.R. Najafi M. Saffari M. Masteri-Farahani F. Mollaamin -
Open Access Article
5 - Studies of Hydrogen Bonding Effects on DiPalmitoyl Phosphatidyl Etanolamine (DPPE) by theoretical Methods
A. Nouri M. Monajjemi -
Open Access Article
6 - Physical adsorption between mono and diatomic gases inside of Carbon nanotube with respect to potential energy
B. Esfandiari M. Monajjemi -
Open Access Article
7 - Thermodynamic Study and Total Energy Calculation for three systems of Enol↔Keto Tautomerism
H. Aghaie M. Monajjemi L. Papei -
Open Access Article
8 - A Density Functional Theory Study of Structure of Phosphonic Acid
M.H. Ghorbani H. Aghaie M. Aghaie -
Open Access Article
9 - Inyestigafion of H2 Adsorption on Grapheme by DFT Methods
S. Shojaee F. Naderi H. Yamoula M. Monajjemi -
Open Access Article
10 - 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 -
Open Access Article
11 - Theoretical study of hydrogen bond effects on Diphenylphosphorylazide
S. Reihani Z. Azizi M. Khaleghian H. Passdar L. Pishkar R. Ahmadi L. Saedi -
Open Access Article
12 - 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 -
Open Access Article
13 - DFT Study of Hydrogen Bonding on Calix[8]arene as Nanostructure Compound
M. Sayadian K. Zare F. Mollaamin -
Open Access Article
14 - DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
Kazem Mahanpoor Majid Saghi Mohammad Hosein Bigtan -
Open Access Article
15 - Electronic Properties of Hydrogen Adsorption on the Silicon- Substituted C20 Fullerenes: A Density Functional Theory Calculations
F. R. Nikmaram Jamshid Najafpour