طیبه حسین نژاد ، عضو هیات علمی دانشگاه الزهرا 

مقالات چاپ شده در مجلات علمي و پژوهشي

1.Regioselectivity in the Sonogashira synthesis of 6-(4-nitrobenzyl)-2-phenylthiazolo[3,2-b]1,2,4 triazole: a quantum chemistry study
T. Hosseinnejad, M.M. Heravi, R. Firouzi, J. Mol. Modeling. 19 (2013) 951-961.

2.Prediction of transport properties of CO2-N2  binary mixtures via the inversion of reduced-viscosity collision integrals,
T. Hosseinnejad, H. Behnejad, Russ. J. Phys. Chem. B, 32 (2013) 1-11.

3.Quantum chemical investigation on the structural and electronic properties of zinc-salphen complex: DFT and QTAIM analysis, 
T. Hosseinnejad, S. Dehghanpour, A. Hosseinjani, Comput. Theor. Chem. 1004 (2013) 31- 37.

4.Computational study on the structure and properties of ternary complexes of Ln+3 (Ln = La, Ce, Nd and Sm) with 5,7-dichloro quinoline-8-ol and 4-vinyl pyridine, 
T. Hosseinnejad, S. J. Ahmadi, M. H. Karimi-Jafari, J. Struc. Chem. 54 (2013) 220-227.

5.Adsorption behavior of CO and C2H2 on the graphene basal surface: A quantum chemistry study, 
T. Hosseinnejad, R. A. Mirzae, F. Nazari, J. Struc. Chem.54 (2013) 850-856.

6.Computational study on the energetic and electronic aspects of tautomeric equilibria in 5-Methylthio-1,2,4-triazole, 
T. Hosseinnejad, Phys. Chem. Res.1 (2013) 175-184.

7.A DFT study on the complexation of trivalent lanthanum ion with malonamide and diglycolamide ligands,
T. Hosseinnejad, S. Dehghanpour, S. Basiri-nasab, Russ. J. Phys. Chem. A, 88 (2014) 2004-     2011.

8.Computational study on the structural and electronic properties of multi-nuclear palladium and nickel silyl complexes via DFT and QTAIM approaches,
T. Hosseinnejad, Molecular Crystals and Liquid Crystals, 605 (2014)89-102.

9.Computational Study on the Complexation Between Tetrapropyl Diglycolamide and Ln3+ (Ln = Nd, Pm, Sm and Eu) Cations
T. Hosseinnejad, S. Nikoo,  Russ. J. Phys. Chem. A, 89 (2015) 1599-1604.

10.Regio-selective synthesis of 5-substituted 1H-tetrazoles using ionic liquid [BMIM]N3 in solvent-free conditions: a click reaction
S. Khaghaninejad, M.M. Heravi, T. Hosseinnejad, H.A. Oskooie,  M. Bakavoli, Res.  Chem.  Inter (2015) DOI 10.1007/s11164-015-2105-3

11.In situ prepared copper nanoparticles on modified KIT-5 as an efficientrecyclable catalyst and its applications in click reactions in water
R. Mirsafaei, M. M. Heravi, Sh. Ahmadic, M.H. Moslemin, T. Hosseinnejad, J. Mol. Cat. A. 402 (2015) 100-108

12.PdCl2on modified poly(styrene-co-maleic anhydride): A highly active and recyclable catalyst for the Suzuki–Miyaura and Sonogashira reactions
M.M. Heravi, E. Hashemia, Y.Shirazi Beheshtiha, Sh. Ahmadi,T. Hosseinnejad, J. Mol. Cat. A. 394 (2014) 74-82.

13.Computational study on stereoselective synthesis of substituted 1H-tetrazolesvia a click reaction:  DFT and QTAIM approaches
T. Hosseinnejad, M. Dinyari, Comput. Theor. Chem. 1071 (2015) 53-60.

14.Computational studies on the regioselectivity of metal-catalyzed synthesis of 1,2,3 triazoles via click reaction: A review
T. Hosseinnejad, B. Fattahi, M. M. Heravi, J.Mol.Modeling. 21(2015) 264-301

15. Complexation of amidocarbamoyl phosphine oxides with Ln+3 (Ln=La, Nd, Pm, Sm and Eu)  cation series: structural and thermodynamical features
T. Hosseinnejad, T. Kazemi, Radiochimica acta 104 (2015) 97-105.

16.Synthesis and properties of novel reusable nano-ordered KIT-5-sulfamic acid as a   heterogeneous catalyst for solvent-free synthesis of 2,4,5-triaryl-1-imidazoles
R. Mirsafaei, M.M. Heravi, Sh.  Ahmadi,T. Hosseinnejad, Chemical Papers. 70 (2016) 418–429 .

17.Hydroarylation of cinnamic acid with phenols catalyzed by acidic ionic liquid [HNMP]HSO4: computational assessment on substituent effect
V. Zadsirjan, M. M. Heravi, M. Tajbakhsh, H. A. Oskooie, M. Shiri, T. Hosseinnejad,  Res.  Chem.  Inter.( 2016) DOI 10.1007/s11164-016-2471-2

18.Viscosity and thermal conductivity of some refrigerants at moderate and high densities on the basis of Rainwater-Friend theory and the corresponding states principle, 
T. Hosseinnejad, H. Behnejad, Fluid Phase Equilibria. 263 (2008) 85-95.

19.Calculation of transport properties and intermolecular potential energy functions of   the binary mixtures of H2 with Ne, Ar, Kr and Xe by a semi-empirical inversion method, 
T. Hosseinnejad, H. Behnejad, V. H. Shahmir, Fluid Phase Equilibria. 258 (2007) 155-167.

20.Direct determination  of  pair potential energy function from the extended law of corresponding states and calculation of thermophysical properties for H2 – He, 
H. Behnejad, T. Hosseinnejad, V. H. Shahmir, F. Arianfar, Chem. Phys. 311 (2005) 245-255.


 

مقالات ارائه شده در کنفرانسهای علمی

Direct determination of intermolecular potential of CO2-CO2 by corresponding states principle and calculation of its viscosity at high pressures. Behnejad, T. Hosseinnejad, 14th Iranian Chemistry & Chemical Engineering Congress, Tarbiat Moallem University, February 2004.

Direct determination of pair potential energy function from inversion procedure and calculation of thermophysical properties over a wide density range for carbon dioxide, H. Behnejad, T. Hosseinnejad, 18th IUPAC International Conference on Chemical Thermodynamics, China, August 2004.

Direct determination of pair potential energy function from the extended law of corresponding states and calculation of thermophysical properties for H2–Ne, H. Behnejad, T. Hosseinnejad, 7th Iranian Physical Chemistry Seminar, Isfahan University of Technology, March 2005.

Direct determination of pair potential energy function from the extended law of corresponding states and calculation of thermophysical properties for H2–He, H. Behnejad, T. Hosseinnejad, V. H. Shahmir, F. Arianfar, 27th International Conference on Science and Engineering, Czech Republic, July 2005.


Prediction of equilibrium and non-equilibrium thermophysical properties at low, moderate and high density, H. Behnejad, T. Hosseinnejad, V. H. Shahmir, S. Jahangiri, H. Babaei. 9th Iranian Physical Chemistry Seminar, Guilan University, June 2006.

Calculation of thermal conductivity of R32 and R125 on the basis of RF and corresponding states theories, T. Hosseinnejad, H. Behnejad, 10th Iranian Physical Chemistry Seminar, Isfahan University, April 2007.

Computational Study on the Stability of Ternary (5, 7-dichloroquinoline-8-ol and 4- vinyl pyridine) Ln Complexes (Ln: La, Ce, Nd, Sm), T. Hosseinnejad, S. J. Ahmadi, S. Shirvani Arani, 12th Iranian Physical Chemistry Seminar, Shiraz University,  April 2010.
Theoretical study on the adsorption behavior of CO and C2H2 on graghene sheet: Active sites and basal surface, T. Hosseinnejad, F. Nazari, Z. Zarbi, R. A. Mirzae, 4th International Conference on Nano-Structures, Kish, Sharif University of Technology, Mar 2012.


Computational investigation on the regioselective Sonogashira synthesis of 6-(4-nitrobenzyl)-2-phenylthiazolo[3,2-b]1,2,4 triazole, , T. Hosseinnejad, M.M. Heravi, R. Firouzi, 15th Iranian Physical Chemistry Tehran, University of Tehran, Sep 2012.

Conformational distribution of ternary complex of Sm+3 with 5,7-dichloroquinoline-8-ol and 4-vinyl pyridine [Sm (VP)2 (DCQ)3]+3: A computational statistical mechanical approach, T. Hosseinnejad, 15th Iranian Physical Chemistry Tehran, University of Tehran, Sep 2012.

Computational study on the complexation of substituted salphen ligands with divalent zinc cation, T. Hosseinnejad, S. Dehghanpour, A. Hosseinjani, The first national conference of new technologies in chemical and chemical engineering, Tehran, May 2013.

A DFT study on the structural and thermodynamical properties of complexation between Co(II) cation with phenanthroline and pterin-type ligands, T. Hosseinnejad, Z. Sadri, 15th Iranian conference on inorganic chemistry, Sabzevar, Sep 2013.
Structural and thermodynamical properties of [La-TPDGA]+3 complex: a DFT study, T. Hosseinnejad, S. Dehghanpour, S. Basiri-nasab,  15th Iranian conference on inorganic chemistry, Sabzevar, Sep 2013.

Computational investigation on the complexation of trivalent lanthanum ion with tetrapropyl malonamide ligand: thermochemical and electronic aspects, T. Hosseinnejad, S. Dehghanpour, S. Basiri-nasab,  15th Iranian conference on inorganic chemistry, Sabzevar, Sep 2013.

Computational investigation on the interaction of divalent zinc cation with salphen ligands: structural and electronic features, T. Hosseinnejad, S. Dehghanpour, A. Hosseinjani, 16th Iranian conference on physical chemistry, Babolsar, Oct. 2013.

Tautomeric equilibria in 5-methylthio-1,2,4-triazole: DFT and QTAIM analysis, T. Hosseinnejad,16th Iranian conference on physical chemistry, Babolsar, Oct. 2013.
 
Computational study on the interaction of some trivalent lanthanide ions with tetrapropyl diglycole amide ligand, T. Hosseinnejad, S. Nikoo,16th Iranian conference on physical chemistry, Babolsar, Oct. 2013

 

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