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        1 - A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
        Morteza Rouhani
      • Open Access Article
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        2 - DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
        Morteza Rouhani
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        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
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        4 - Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems
        Shruti Sharma Bipul Bezbaruah
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        5 - Thermodynamic study of interaction between some transition metal ions and L-Alanine
        H. Aghaie K. Zare F. Keshavarz Rezaei
      • Open Access Article
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        6 - Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
        M. Aghaie F. Naderi A. Menatian
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        7 - Binding Data Analysis for Interaction of n- Alkyl Sulfates with Insulin
        M. Keshavarz A.K Bordbar K Zare H. Aghaei
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        8 - Thermodynamic Study on the Interaction between Fe2+(aq) ion and LAlanine
        K. Zare F. Keshavarz Rezaie F. Soleimani H. Aghaie
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        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
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        10 - Characterization of Carbon Nanotube (CNT) in Adsorption Gas: Monte Carlo and Langevin Dynamic Simulation
        L. Mahdavian M. Monajjemi R. Zhiani
      • Open Access Article
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        11 - Thermodynamic Analysis for Cationic Surfactants Binding to Bovine Serum Albumin
        Abdol-Khalegh Bordbar
      • Open Access Article
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        12 - Interaction of alanine with lithium. I- the alanine–Li -n (H20) n (0–2) complexes
        A.V. Moradi M. T. Baei F. Mollaamin
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        13 - Estimating the second virial coefficients of some real gas mixtures and related thermodynamic views
        M. Baghernejad K. Zare
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        14 - MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems
        Shruti Sharma Bipul Bezbaruah
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        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
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