مقالات در نشریات
- 1. M. Shakourian , Fard , A. Fattahi,Theoretical investigation on the structural and electronic properties of complexes formed by thymine and 2`-deoxythymidine with different anions,.Struct. Chem,2012.
- 2. M. Shakourian , Fard , Alireza Fattahi , Ahmad Bayat,The design of a novel ionic liquid derived from α-amino acid anion and N7, N9-dimethylguaninium cation ([dMG][AA]): a theoretical study on the structure and electronic properties,J. Phys. Chem. A,2012.
- 3. M.S. Ahmadi , M. Shakourian , Fard , A. Fattahi,Molecular structure and character of bonding of mono and divalent metal cations (Li+, Na+, K+, Mg2+, Ca2+, Zn2+, and Cu+) with guanosine: AIM and NBO analysis,Struct. Chem.,2012.
- 4. Z. Aliakbar Tehrani , A. Fattahi , M. Shakourian , Fard,What roles do boron substitutions play in structural, tautomeric, base pairing, and electronic properties of uracil? NBO & AIM analysis,J. Phys. Org. Chem.,2012.
- 5. M. Nasiri , M. Shakourian , Fard , A. Fattahi,Influence of the hydrogen bonding on the basicity of selected macrocyclic amines,J. Phys. Org. Chem.,2012.
- 6. M. Shakorian Fard Jahromi ,& A. Fattahi,DFT study of the interaction thymine with Cu+ and Zn2+,Scientia Iranica,2009.
- 7. Influence of the water molecules (n=1-6) on the interaction between Li+, Na+, K+ cations and indole molecule as tryptophan amino acid residue,Struct. Chem.,2012.
- 8. M. Shakourian , Fard , Alireza Fattahi,Influence of cation-heteroatom (Li+, Na+ and K+) interaction on the structural and thermochemical properties of 2′-deoxythymidine nucleoside: QTAIM and NBO analyses,J. Theor. Comput. Chem.,2012.
- 9. M. Shakourian , Fard , A. Fattahi , Z. Jamshidi,Interaction of cations with 2`-deoxythymidine nucleoside and analysis of nature and strength of cation bonds,J. Phys. Org. Chem.,2012.
- 10. Z. Aliakbar Tehrani , M. Shakourian , Fard , A. Fattahi,Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson–Crick base pairs,Struct. Chem.,2013.
- 11. Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: a theoretical study,J. Fluorine Chem.,2013.
- 12. A. Najdian , M. Shakourian , Fard , A. Fattahi,Cooperativity effects of intramolecular OH…O interactions on pKa values of polyolalkyl sulfonic acids in gas and solution phase: a DFT study,J. Phys. Org. Chem.,2014.
- 13. G. Kamath1 et al.,In silico based rank-order determination and experiments on nonaqueous electrolytes for sodium ion battery applications,J. Phys. Chem. C,2014.
- 14. M. Shakourian , Fard , G. Kamath , Z. Jamshidi,Trends in Physisorption of Ionic Liquids (ILs) on Boron-Nitride Surface,J. Phys. Chem. C,2014.
- 15. M. Shakourian , Fard , G. Kamath , S.K.R.S. Sankaranarayanan,Electronic structure insights into the solvation behavior of Mg2+ Ion with Cyclic/Acyclic Carbonates,ChemPhysChem,2015.
- 16. M. Shakourian et al.,Trends in Na-ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First Principles Calculations,J. Phys. Chem. C,2015.
- 17. Meta-hybrid density functional theory study of adsorption of imidazolium and ammonium-based ionic liquids on graphene sheet,J. Phys. Chem. C,2015.
- 18. M. Shakourian , Fard , Z. Jamshidi , G. Kamath,Surface Charge-Transfer Doping of Graphene Nanoflakes Containing Double-Vacancy (5-8-5) and Stone–Wales (55-77) Defects through Molecular Adsorption,ChemPhysChem,2016.
- 19. M. Shakourian , Fard , G. Kamath , S.K.R.S. Sankaranarayanan,,Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes,ChemPhysChem,2016.
- 20. M. Shakourian , Fard , A. Bayat , G. Kamath,Effect of mono-vacant defects on the opto-electronic properties of ionic liquid functionalized hexagonal boron-nitride nanosheets,J. Mol. Liq.,2017.
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