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Open Access Article
1 - Computational Design and Synthesis of Molecular Imprinted Polymers for solid-phase Extraction of Acyclovir
gholamali haghdoost -
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 - Studies of Hydrogen Bonding Effects on DiPalmitoyl Phosphatidyl Etanolamine (DPPE) by theoretical Methods
A. Nouri M. Monajjemi -
Open Access Article
5 - Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
Mohammad Hossein Ghorbani Hossein Aghaei -
Open Access Article
6 - Thermodynamic Study and Total Energy Calculation for three systems of Enol↔Keto Tautomerism
H. Aghaie M. Monajjemi L. Papei -
Open Access Article
7 - A Density Functional Theory Study of Structure of Phosphonic Acid
M.H. Ghorbani H. Aghaie M. Aghaie -
Open Access Article
8 - QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)
Seyed Abdolreza Sadjadi Gholam Hossein Shafiee Amin Ebadi -
Open Access Article
9 - DFT Study of Hydrogen Bonding on Calix[8]arene as Nanostructure Compound
M. Sayadian K. Zare F. Mollaamin -
Open Access Article
10 - 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