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        1 - Theoretical Study of Flavopiridol Binded to Transition Metals
        M. Monajjemi1 H. Passdar L. Saedi R. Ghiasi F. Mollaamin
      • Open Access Article
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        2 - Theoretical Analysis on the Conformational Features of the HCO—Gly—L—Leu—NH2 Protected Dipeptide Motif: Ab initio and DFT Exploratory
        B. Chahkandi M. Chahkandi S. M. Sadati Amin M. Giahi
      • Open Access Article
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        3 - Response of semi-empirical and AB initio methods to angle strain and conjugation effects in (Z,Z,Z)-Cycloocta-1,3,5-triene
        Issa Yavari Hassan Kabiri-Fard
      • Open Access Article
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        4 - AB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
        E. Pournamdari M. Monajjemi
      • Open Access Article
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        5 - Ab Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
        Issa Yavari Vahideh Hadigheh-Rezvan Mohsen Dadgar
      • Open Access Article
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        6 - An Ab Initio SCF-MO Study of Conformational Properties of (Z)- Cyclooctene
        Issa Yavari Hassan Kabiri-Fard
      • Open Access Article
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        7 - Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene
        Saeed Taghavaei-Gangali Saeed Taghvaei-Gangali shahram moradi Kambiz Tahvildari
      • Open Access Article
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        8 - An Ab Initio SCF-MO Study of Conformational Properties of Cyclodeca-1,2,3-triene
        Issa Yavari Hassan Kabiri-Fard
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        9 - A Density Functional Theory Study of Structure of Phosphonic Acid
        M.H. Ghorbani H. Aghaie M. Aghaie
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        10 - 4D-QSAR analysis and pharmacophore modeling: propoxy methylphenyl oxasiazole derivatives by electron conformatitional-genetic algorithm method
        Burak Tüzün Sevtap Çağlar Yavuz Emin Sarıpınar
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