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Open Access Article
1 - A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
Morteza Rouhani -
Open Access Article
2 - DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
Morteza Rouhani -
Open Access Article
3 - A conceptual framework chemistry of Hydrated Cations: Part I. Preliminary Ab Initio and QTAIM calculations on [Li(H20)nr (n=1,2,3).
Jamshid Najafpour Gholam Hossein Shafiee Abdolreza Sadjadi Shant Shahbazian -
Open Access Article
4 - Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems
Shruti Sharma Bipul Bezbaruah -
Open Access Article
5 - Thermodynamic study of interaction between some transition metal ions and L-Alanine
H. Aghaie K. Zare F. Keshavarz Rezaei -
Open Access Article
6 - Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
M. Aghaie F. Naderi A. Menatian -
Open Access Article
7 - Binding Data Analysis for Interaction of n- Alkyl Sulfates with Insulin
M. Keshavarz A.K Bordbar K Zare H. Aghaei -
Open Access Article
8 - Thermodynamic Study on the Interaction between Fe2+(aq) ion and LAlanine
K. Zare F. Keshavarz Rezaie F. Soleimani H. Aghaie -
Open Access Article
9 - Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods
B. Ghalandari F. Mollaamin L. Pishkar B. Khalili Haddad -
Open Access Article
10 - Characterization of Carbon Nanotube (CNT) in Adsorption Gas: Monte Carlo and Langevin Dynamic Simulation
L. Mahdavian M. Monajjemi R. Zhiani -
Open Access Article
11 - Thermodynamic Analysis for Cationic Surfactants Binding to Bovine Serum Albumin
Abdol-Khalegh Bordbar -
Open Access Article
12 - Interaction of alanine with lithium. I- the alanine–Li -n (H20) n (0–2) complexes
A.V. Moradi M. T. Baei F. Mollaamin -
Open Access Article
13 - Estimating the second virial coefficients of some real gas mixtures and related thermodynamic views
M. Baghernejad K. Zare -
Open Access Article
14 - MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems
Shruti Sharma Bipul Bezbaruah -
Open Access Article
15 - A competitive Diels-Alder/1, 3-dipolar cycloaddition reaction of1-H-imidazole 3-oxide toward sulfonyl methane. A DFT study on the energetic and regioselectivity
Saeedreza Emamian