توصیف مختصر
Hadi Behzadi
Associate Professor of Physical Chemistry
Department of Physical Chemistry, Faculty of Chemistry, Kharazmi University, Tehran, Iran
Date of Birth: Nov., 1, 1975
Place of Birth: Amol, North of Iran
Nationality: Iranian
Living Country: Iran
Material Status: Married,
Contact Information:
Email: behzadi@khu.ac.ir, behzadihadi@yahoo.com
Phone: 0912 424 7671- (+98) 26 34551023
Educational Background:
2008, Ph.D in Physical Chemistry, Department of Chemistry, Tarbiat Modares University, Tehran,Iran
First Supervisor:
Nasser L. Hadipour
Adders: Department of Chemistry, Tarbiat Modares UniVersity, P.O. Box 14115-175, Tehran, Iran
Tel: (+98) 21 82883495 (Room No. 603)
Email: hadipour_n@yahoo.com and hadipour@modares.ac.ir
Second Supervisor:
G.A. Parsafar
Adders: Department of Chemistry, Sharif University of Technology, Tehran, Iran
Tel.: +98 21 66165355; fax: +98 21 600 5718.
Email: Parsafar@Sharif.edu
1998-2000, M.Sc Student of Physical Chemistry, Department of Chemistry, Mazandaran
University, Babolsar, Iran
1994-1998, B.Sc Student of Chemistry, Department of Chemistry, Guilan University, Rasht, Iran
Course subjects taught:
General Chemistry, Physical Chemistry I and II, Physical Chemistry Lab I and II, Molecular Spectroscopy, Quantum Chemistry, Advanced Quantum Chemistry, Theoretical chemistry of nanostructures, Advanced Physical Chemistry, Computational Chemistry, New Subject in Physical Chemistry
Research interests
Nanostructures, Corrosion inhibitor, Drug Design, Aromaticity
Foreign research
Summer 2007(3 month): Visiting Scientist at Department of Cell and Molecular Biology, Uppsala
University
Summer 2018 (2 month): Visiting Scientist at Department of Physical and Organic Chemistry
Jožef Stefan Institute, Slovenia
List of Publications:
1. Hajiahmadi, Z.; Tavangar, Z.; Behzadi, H., A DFT Study of the Reaction between Benzopyrene Epoxide and C60 Derivatives as Possible Anticancer Activity. Polycyclic Aromatic Compounds 2019, 1-11.
2. Farahati, R.; Ghaffarinejad, A.; Mousavi-Khoshdel, S. M.; Rezania, J.; Behzadi, H.; Shockravi, A., Synthesis and potential applications of some thiazoles as corrosion inhibitor of copper in 1 M HCl: Experimental and theoretical studies. Progress in Organic Coatings 2019, 132, 417-428.
3. Van Duong, L.; Matito, E.; Solà, M.; Behzadi, H.; Momeni, M. J.; Nguyen, M. T., The electronic structure and stability of germanium tubes Ge 30 H 12 and Ge 33 H 12. Physical Chemistry Chemical Physics 2018, 20 (36), 23467-23479.
4. Rezania, J.; Behzadi, H.; Shockravi, A.; Ehsani, M.; Akbarzadeh, E., Synthesis and DFT calculations of some 2-aminothiazoles. Journal of Molecular Structure 2018, 1157, 300-305.
5. Behzadi, H.; Manzetti, S.; Dargahi, M.; Roonasi, P.; Khalilnia, Z., Application of calculated NMR parameters, aromaticity indices and wavefunction properties for evaluation of corrosion inhibition efficiency of pyrazine inhibitors. Journal of Molecular Structure 2018, 1151, 34-40.
6. Behzadi, H.; Forghani, A., Correlation between electronic parameters and corrosion inhibition of benzothiazole derivatives-NMR parameters as important and neglected descriptors. Journal of Molecular Structure 2017, 1131, 163-170.
7. Behzadi, H., Aromatic-like behavior of germanium nanocrystals. RSC Advances 2016, 6 (53), 47434-47442.
8. Momeni, M. J.; Behzadi, H.; Roonasi, P.; Sadjadi, S. A. S.; Mousavi-Khoshdel, S. M.; Mousavi, S. V., Ab initio study of two quinoline derivatives as corrosion inhibitor in acidic media: electronic structure, inhibitor–metal interaction, and nuclear quadrupole resonance parameters. Research on Chemical Intermediates 2015, 41 (9), 6789-6802.
9. Manzetti, S.; Lu, T.; Behzadi, H.; Estrafili, M. D.; Le, H.-L. T.; Vach, H., Intriguing properties of unusual silicon nanocrystals. RSC Advances 2015, 5 (95), 78192-78208.
10. Behzadi, H.; Roonasi, P.; van der Spoel, D.; Manzetti, S., Relationship between electronic properties and drug activity of seven quinoxaline compounds: A DFT study. Journal of Molecular Structure 2015, 1091, 196-202.
11. Behzadi, H.; Roonasi, P.; Momeni, M. J.; Manzetti, S.; Esrafili, M. D.; Obot, I.; Yousefvand, M.; Mousavi-Khoshdel, S. M., A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process. Journal of Molecular Structure 2015, 1086, 64-72.
12. Halimehjani, A. Z.; Shakourian-Fard, M.; Farvardin, M. V.; Raeesi, M.; Hashemi, M. M.; Behzadi, H., Design and synthesis of new family of ionic liquids based on 2-iminium-1, 3-dithiolanes: A combined theoretical and experimental effort. Journal of Molecular Structure 2014, 1056, 56-62.
13. Dadmehr, M.; Hosseini, M.; Hosseinkhani, S.; Ganjali, M.; Khoobi, M.; Behzadi, H.; Hamedani, M.; Sheikhnejad, R., DNA methylation detection by a novel fluorimetric nanobiosensor for early cancer diagnosis. Biosensors and Bioelectronics 2014, 60, 35-44.
14. Behzadi, H.; Esrafili, M. D.; Manzetti, S.; Roonasi, P., A density functional study of silicon fullerene endohedral X@ Si20F20 and exohedral X-Si20F20 (X= O2−, S2−, Se2−) complexes. Physica E: Low-dimensional Systems and Nanostructures 2014, 56, 69-73.
15. Vakili, M.; Eshghi, H.; Raeisian, M.; Afzali, R.; Berenji, A. R.; Behzadi, H., Structure and isomeric studies of 1, 3-diaryl-H-benzo [f] chromene, catalyst effect or thermodynamic stability? An ab initio study. Iranian Journal of Catalysis 2013, 3 (3), 139-147.
16. Shockravi, A.; Kamali, M.; Behzadi, H.; Pahlavan Moghanlo, S.; Nategholeslam, M., Synthesis and Template Studies of New Aza Macrocycles and one Cryptand Based on 2, 6-diaminopyridine and its Computational NMR Studies Using Density Functional Theory. Letters in Organic Chemistry 2013, 10 (4),
256-262.
17. Sergio, M.; Behzadi, H.; Otto, A.; van der Spoel, D., Fullerenes toxicity and electronic properties. Environmental chemistry letters 2013, 11 (2), 105-118.
18. Mahdaviani, A.; Esrafili, M. D.; Esrafili, A.; Behzadi, H., A quantum chemistry study on surface reactivity of pristine and carbon-substituted AlN nanotubes. Physica E: Low-dimensional Systems and Nanostructures 2013, 53, 161-167.
19. Esrafili, M. D.; Behzadi, H., A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies. Journal of molecular modeling 2013, 19 (6), 2375-2382.
20. Esrafili, M. D.; Behzadi, H., A DFT study on carbon-doping at different sites of (8, 0) boron nitride nanotube. Structural Chemistry 2013, 24 (2), 573-581.
21. Esrafili, M. D.; Behzadi, H., Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories. Molecular Simulation 2013, 39 (8), 629-639.
22. Esrafili, M. D.; Behzadi, H., A theoretical study on H-bonding interactions in maleic acid: calculated 17O, 1H NMR parameters and QTAIM analysis. Molecular Simulation 2012, 38 (11), 896-905.
23. Karami, L.; Behzadi, H.; Hadipour, N. L.; Mousavi-Khoshdel, M., Study of C= O center dot center dot center dot HN Hydrogen bond interactions in amyloid beta (A beta): A DFT study of the electric field gradient and CS tensors and NBO analysis. COMPUTATIONAL AND THEORETICAL CHEMISTRY 2011, 965
(1), 137-145.
24. Behzadi, H.; Olyai, M. R. T. B.; van der Spoel, D., Probing 13 C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity. Journal of molecular modeling 2011, 17 (12), 3289-3297.
25. Beheshtian, J.; Behzadi, H.; Esrafili, M. D.; Shirvani, B. B.; Hadipour, N. L., A computational study of water adsorption on boron nitride nanotube. Structural Chemistry 2010, 21 (5), 903-908.
26. Behzadi, H.; Esrafili, M. D.; Beheshtian, J.; Hadipour, N. L.; van der Spoel, D., A density functional study of 15N chemical shielding tensors in quinolines. Chemical Physics Letters 2009, 476 (4- 6), 196-200.
27. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Theoretical study of N–H··· O hydrogen bonding properties and cooperativity effects in linear acetamide clusters. Theoretical Chemistry Accounts 2008, 121 (3-4), 135-146.
28. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., 14N and 17O electric field gradient tensors in benzamide clusters: theoretical evidence for cooperative and electronic delocalization effects in N–H⋯O hydrogen bonding. Chemical Physics 2008, 348 (1-3), 175-180.
29. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Density functional theory study of N–H⋯ O, O–H⋯ O and C–H⋯ O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of Nacetyl-valine. Biophysical chemistry 2008, 133 (1-3), 11-18.
30. Esrafili, M. D.; Behzadi, H.; Beheshtian, J.; Hadipour, N. L., Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: Sulfamerazine and sulfathiazole. Journal of Molecular Graphics and Modelling 2008, 27 (3), 326-331.
31. Behzadi, H.; van der Spoel, D.; Esrafili, M. D.; Parsafar, G. A.; Hadipour, N. L., Role of spin state on the geometry and nuclear quadrupole resonance parameters in hemin complex. Biophysical chemistry 2008, 134 (3), 200-206.
32. Behzadi, H.; Esrafili, M. D.; Hadipour, N. L.; Parsafar, G., A theoretical study of repeating sequence in HRP II: A combination of molecular dynamics simulations and 17O quadrupole coupling tensors. Biophysical chemistry 2008, 137 (2-3), 76-80.
33. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Influence of N–H… O and O–H… O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen: A density functional theory study. Biophysical chemistry 2007, 128 (1), 38-45.
34. Behzadi, H.; Hadipour, N. L.; Mirzaei, M., A density functional study of 17O, 14N and 2H electric field gradient tensors in the real crystalline structure of α-glycine. Biophysical chemistry 2007, 125 (1),179-183.
35. Behzadi, H.; Esrafili, M. D.; Hadipour, N. L., A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen. Chemical physics 2007, 333 (2-3), 97-104.
Associate Professor of Physical Chemistry
Department of Physical Chemistry, Faculty of Chemistry, Kharazmi University, Tehran, Iran
Date of Birth: Nov., 1, 1975
Place of Birth: Amol, North of Iran
Nationality: Iranian
Living Country: Iran
Material Status: Married,
Contact Information:
Email: behzadi@khu.ac.ir, behzadihadi@yahoo.com
Phone: 0912 424 7671- (+98) 26 34551023
Educational Background:
2008, Ph.D in Physical Chemistry, Department of Chemistry, Tarbiat Modares University, Tehran,Iran
First Supervisor:
Nasser L. Hadipour
Adders: Department of Chemistry, Tarbiat Modares UniVersity, P.O. Box 14115-175, Tehran, Iran
Tel: (+98) 21 82883495 (Room No. 603)
Email: hadipour_n@yahoo.com and hadipour@modares.ac.ir
Second Supervisor:
G.A. Parsafar
Adders: Department of Chemistry, Sharif University of Technology, Tehran, Iran
Tel.: +98 21 66165355; fax: +98 21 600 5718.
Email: Parsafar@Sharif.edu
1998-2000, M.Sc Student of Physical Chemistry, Department of Chemistry, Mazandaran
University, Babolsar, Iran
1994-1998, B.Sc Student of Chemistry, Department of Chemistry, Guilan University, Rasht, Iran
Course subjects taught:
General Chemistry, Physical Chemistry I and II, Physical Chemistry Lab I and II, Molecular Spectroscopy, Quantum Chemistry, Advanced Quantum Chemistry, Theoretical chemistry of nanostructures, Advanced Physical Chemistry, Computational Chemistry, New Subject in Physical Chemistry
Research interests
Nanostructures, Corrosion inhibitor, Drug Design, Aromaticity
Foreign research
Summer 2007(3 month): Visiting Scientist at Department of Cell and Molecular Biology, Uppsala
University
Summer 2018 (2 month): Visiting Scientist at Department of Physical and Organic Chemistry
Jožef Stefan Institute, Slovenia
List of Publications:
1. Hajiahmadi, Z.; Tavangar, Z.; Behzadi, H., A DFT Study of the Reaction between Benzopyrene Epoxide and C60 Derivatives as Possible Anticancer Activity. Polycyclic Aromatic Compounds 2019, 1-11.
2. Farahati, R.; Ghaffarinejad, A.; Mousavi-Khoshdel, S. M.; Rezania, J.; Behzadi, H.; Shockravi, A., Synthesis and potential applications of some thiazoles as corrosion inhibitor of copper in 1 M HCl: Experimental and theoretical studies. Progress in Organic Coatings 2019, 132, 417-428.
3. Van Duong, L.; Matito, E.; Solà, M.; Behzadi, H.; Momeni, M. J.; Nguyen, M. T., The electronic structure and stability of germanium tubes Ge 30 H 12 and Ge 33 H 12. Physical Chemistry Chemical Physics 2018, 20 (36), 23467-23479.
4. Rezania, J.; Behzadi, H.; Shockravi, A.; Ehsani, M.; Akbarzadeh, E., Synthesis and DFT calculations of some 2-aminothiazoles. Journal of Molecular Structure 2018, 1157, 300-305.
5. Behzadi, H.; Manzetti, S.; Dargahi, M.; Roonasi, P.; Khalilnia, Z., Application of calculated NMR parameters, aromaticity indices and wavefunction properties for evaluation of corrosion inhibition efficiency of pyrazine inhibitors. Journal of Molecular Structure 2018, 1151, 34-40.
6. Behzadi, H.; Forghani, A., Correlation between electronic parameters and corrosion inhibition of benzothiazole derivatives-NMR parameters as important and neglected descriptors. Journal of Molecular Structure 2017, 1131, 163-170.
7. Behzadi, H., Aromatic-like behavior of germanium nanocrystals. RSC Advances 2016, 6 (53), 47434-47442.
8. Momeni, M. J.; Behzadi, H.; Roonasi, P.; Sadjadi, S. A. S.; Mousavi-Khoshdel, S. M.; Mousavi, S. V., Ab initio study of two quinoline derivatives as corrosion inhibitor in acidic media: electronic structure, inhibitor–metal interaction, and nuclear quadrupole resonance parameters. Research on Chemical Intermediates 2015, 41 (9), 6789-6802.
9. Manzetti, S.; Lu, T.; Behzadi, H.; Estrafili, M. D.; Le, H.-L. T.; Vach, H., Intriguing properties of unusual silicon nanocrystals. RSC Advances 2015, 5 (95), 78192-78208.
10. Behzadi, H.; Roonasi, P.; van der Spoel, D.; Manzetti, S., Relationship between electronic properties and drug activity of seven quinoxaline compounds: A DFT study. Journal of Molecular Structure 2015, 1091, 196-202.
11. Behzadi, H.; Roonasi, P.; Momeni, M. J.; Manzetti, S.; Esrafili, M. D.; Obot, I.; Yousefvand, M.; Mousavi-Khoshdel, S. M., A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process. Journal of Molecular Structure 2015, 1086, 64-72.
12. Halimehjani, A. Z.; Shakourian-Fard, M.; Farvardin, M. V.; Raeesi, M.; Hashemi, M. M.; Behzadi, H., Design and synthesis of new family of ionic liquids based on 2-iminium-1, 3-dithiolanes: A combined theoretical and experimental effort. Journal of Molecular Structure 2014, 1056, 56-62.
13. Dadmehr, M.; Hosseini, M.; Hosseinkhani, S.; Ganjali, M.; Khoobi, M.; Behzadi, H.; Hamedani, M.; Sheikhnejad, R., DNA methylation detection by a novel fluorimetric nanobiosensor for early cancer diagnosis. Biosensors and Bioelectronics 2014, 60, 35-44.
14. Behzadi, H.; Esrafili, M. D.; Manzetti, S.; Roonasi, P., A density functional study of silicon fullerene endohedral X@ Si20F20 and exohedral X-Si20F20 (X= O2−, S2−, Se2−) complexes. Physica E: Low-dimensional Systems and Nanostructures 2014, 56, 69-73.
15. Vakili, M.; Eshghi, H.; Raeisian, M.; Afzali, R.; Berenji, A. R.; Behzadi, H., Structure and isomeric studies of 1, 3-diaryl-H-benzo [f] chromene, catalyst effect or thermodynamic stability? An ab initio study. Iranian Journal of Catalysis 2013, 3 (3), 139-147.
16. Shockravi, A.; Kamali, M.; Behzadi, H.; Pahlavan Moghanlo, S.; Nategholeslam, M., Synthesis and Template Studies of New Aza Macrocycles and one Cryptand Based on 2, 6-diaminopyridine and its Computational NMR Studies Using Density Functional Theory. Letters in Organic Chemistry 2013, 10 (4),
256-262.
17. Sergio, M.; Behzadi, H.; Otto, A.; van der Spoel, D., Fullerenes toxicity and electronic properties. Environmental chemistry letters 2013, 11 (2), 105-118.
18. Mahdaviani, A.; Esrafili, M. D.; Esrafili, A.; Behzadi, H., A quantum chemistry study on surface reactivity of pristine and carbon-substituted AlN nanotubes. Physica E: Low-dimensional Systems and Nanostructures 2013, 53, 161-167.
19. Esrafili, M. D.; Behzadi, H., A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies. Journal of molecular modeling 2013, 19 (6), 2375-2382.
20. Esrafili, M. D.; Behzadi, H., A DFT study on carbon-doping at different sites of (8, 0) boron nitride nanotube. Structural Chemistry 2013, 24 (2), 573-581.
21. Esrafili, M. D.; Behzadi, H., Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories. Molecular Simulation 2013, 39 (8), 629-639.
22. Esrafili, M. D.; Behzadi, H., A theoretical study on H-bonding interactions in maleic acid: calculated 17O, 1H NMR parameters and QTAIM analysis. Molecular Simulation 2012, 38 (11), 896-905.
23. Karami, L.; Behzadi, H.; Hadipour, N. L.; Mousavi-Khoshdel, M., Study of C= O center dot center dot center dot HN Hydrogen bond interactions in amyloid beta (A beta): A DFT study of the electric field gradient and CS tensors and NBO analysis. COMPUTATIONAL AND THEORETICAL CHEMISTRY 2011, 965
(1), 137-145.
24. Behzadi, H.; Olyai, M. R. T. B.; van der Spoel, D., Probing 13 C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity. Journal of molecular modeling 2011, 17 (12), 3289-3297.
25. Beheshtian, J.; Behzadi, H.; Esrafili, M. D.; Shirvani, B. B.; Hadipour, N. L., A computational study of water adsorption on boron nitride nanotube. Structural Chemistry 2010, 21 (5), 903-908.
26. Behzadi, H.; Esrafili, M. D.; Beheshtian, J.; Hadipour, N. L.; van der Spoel, D., A density functional study of 15N chemical shielding tensors in quinolines. Chemical Physics Letters 2009, 476 (4- 6), 196-200.
27. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Theoretical study of N–H··· O hydrogen bonding properties and cooperativity effects in linear acetamide clusters. Theoretical Chemistry Accounts 2008, 121 (3-4), 135-146.
28. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., 14N and 17O electric field gradient tensors in benzamide clusters: theoretical evidence for cooperative and electronic delocalization effects in N–H⋯O hydrogen bonding. Chemical Physics 2008, 348 (1-3), 175-180.
29. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Density functional theory study of N–H⋯ O, O–H⋯ O and C–H⋯ O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of Nacetyl-valine. Biophysical chemistry 2008, 133 (1-3), 11-18.
30. Esrafili, M. D.; Behzadi, H.; Beheshtian, J.; Hadipour, N. L., Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: Sulfamerazine and sulfathiazole. Journal of Molecular Graphics and Modelling 2008, 27 (3), 326-331.
31. Behzadi, H.; van der Spoel, D.; Esrafili, M. D.; Parsafar, G. A.; Hadipour, N. L., Role of spin state on the geometry and nuclear quadrupole resonance parameters in hemin complex. Biophysical chemistry 2008, 134 (3), 200-206.
32. Behzadi, H.; Esrafili, M. D.; Hadipour, N. L.; Parsafar, G., A theoretical study of repeating sequence in HRP II: A combination of molecular dynamics simulations and 17O quadrupole coupling tensors. Biophysical chemistry 2008, 137 (2-3), 76-80.
33. Esrafili, M. D.; Behzadi, H.; Hadipour, N. L., Influence of N–H… O and O–H… O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen: A density functional theory study. Biophysical chemistry 2007, 128 (1), 38-45.
34. Behzadi, H.; Hadipour, N. L.; Mirzaei, M., A density functional study of 17O, 14N and 2H electric field gradient tensors in the real crystalline structure of α-glycine. Biophysical chemistry 2007, 125 (1),179-183.
35. Behzadi, H.; Esrafili, M. D.; Hadipour, N. L., A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen. Chemical physics 2007, 333 (2-3), 97-104.
سوابق تحصیلی
#
دوره
دانشگاه محل تحصیل
شهر محل تحصیل
کشور محل تحصیل
تاریخ فارغالتحصیلى
میانگین کل
1
کارشناسی
دانشگاه مازندران
رشت
ایران
1377
2
کارشناسی ارشد
دانشگاه مازندران
بابلسر
ایران
1379
3
دکتری
تربیت مدس
تهران
ایران
1387
4
شیمی فیزیک
1387/07/10
آشنایی با زبان
#
زبان
میزان مهارت ترجمه
میزان مهارت مکالمه
1
زبان
خوب
خوب
سوابق شغلی
#
عناوین مسئولیتها
سازمان محل خدمت
تاریخ شروع
تاریخ خاتمه
1
عضو هیئت علمی
دانشگاه خوارزمی
1389
علایق تحقیقاتی
#
عنوان علاقمندى
تاریخ آغاز فعالیت
1
آروماتیسیته
2
بازدارنده های خوردگی
3
نانوساختارها
4
طراحی دارو
طرحهای تحقیقاتی
#
عناوین طرحهاى پژوهشى
مجریان
سازمان حامى
محل اجرا
وضعیت طرح
تاریخ تکمیل
1
تکمیل شده
دانشجویان تحت راهنمایی
#
عنوان
افراد
1
مطالعه ساختاری خانواده کینوکسالین ها و بررسی رابطه ی ساختار - فعالیت(QSAR)آنها با استفاده از تئوری تابعیت چگالی(DFT)
خاتون اصل تقی پور
2
مطالعه خواص بازدارندگی ترکیبات آلی هتروسیکلی با استفاده از روش های محاسباتی
مصطفی یوسفوند
3
مطالعه نظری ساختاری و الکترونی فلرن های سیلیکونی جایگزین شده با فسفر و نیتروژن و مطالعه نظری نانو ساختار الکترونی
زهرا یحیی ئی
4
محاسبات نظریه تابعیت چگالی مشتقات بنزوتیوآزول و گلایسین به عنوان بازدارنده های خوردگی و شبیه سازی دینامیک مولکولی
علی فرقانی هریس
5
مطالعه ی ترکیبات آلی هتروسیکل به عنوان بازدارنده در مقابل خوردگی با استفاده از روش شیمی محاسباتی
عاطفه نصرتیان
6
بررسی نانو ذرات کریستال های(X=H,H,Cl,Br,...) و Ge18X12, Ge19X12 با استفاده از روش نظریه تابعیت چگالی
زهرا خلیل نیای لیمودهی
7
ارزیابی اثر بازدارندگی از خوردگی مشتقات تیازول و مشتقات پیریمیدین بر روی فولاد
افسانه امیری
8
بررسی حلالیت متقابل آب و الکل های 1-بوتانول، 1-پنتانول و 1-اکتانول با استفاده از شبیه سازی دینامیک مولکولی
راضیه شطی
9
مطالعه ساختار کالیکس آرن ها با استفاده از روش نظریه تابعیت چگالی
سمانه مکی
10
مطالعه پیوند هیدروژنی 1، 2-آزابورین ها با گلوتامین با استفاده از نظریه تابعیت چگالی
زهرا خلیل ارجمندی
11
بررسی مکانیک کوآنتومی آروماتیسیته آرن ها
رضوان نیکجه فراهانی
12
بررسی نظری خصلت آروماتیکی آرن ها ( مشتقات آنتراسن و فنانترن)
رضوان نیکجه فراهانی
دانشجویان تحت مشاوره
#
عنوان
افراد
1
بررسی خواص تریبولوژیکی و الکترونی ترکیبات آلکیل بورات-دی تیوکاربامت های مختلف به عنوان افزودنی در روان کننده ها
سمانه اعتماد راد
دوره های درسی
#
عنوان درس
توصیف درس
سرفصل ها
دوره درسی
توضیحات
فایل
1
طرح درس
2
مباحث درس شیمی عمومی 2
دورههای تدریس شده
#
عناوین دروس
مکان و تاریخ تدریس
1
شیمی عمومی 1و2
2
شیمی فیزیک 1و2
3
مبانی شیمی کوآنتومی
4
آزمایشگاه شیمی فیزیک 1 و2
5
مباحث نوین
6
طیف سنجی
7
شیمی نظری نانو ساختارها
8
مباحث نوین در شیمی فیزیک
9
شیمی محاسباتی
مقالات چاپ شده
#
عنوان
نگارندگان
عنوان مجله
سال انتشار
1
A study of glycine-based dithiocarbamates as effective corrosion inhibitors for cold rolled carbon steel in HCl solutions
Somaye Zeinali nikoo, , Hajar Mokarami Ghartavol, Azim Ziyaei Halimehjani, Mojtaba Ostadrahimi, Seyed Majid Mirhosseini, Hadi Behzadi, Mohammad Ghorbani
Surfaces and Interfaces
2020
2
Understanding non-covalent interactions by NMR in urea- and thiourea-substituted calixarene complexes
Mohd Athar, Hadi Behzadi, SAMANEH MAKKI
MONATSHEFTE FUR CHEMIE
2020
3
A DFT Study of the Reaction between Benzopyrene Epoxide and C 60 Derivatives as Possible Anticancer Activity
Zahra Hajiahmadi, Zahra Tavangar, Hadi Behzadi
POLYCYCLIC AROMATIC COMPOUNDS
2019
4
Synthesis and potential applications of some thiazoles as corrosion inhibitor of copper in 1 M HCl: Experimental and theoretical studies
Razieh Farahati, Ali Ghaffarinejad, S. Morteza Mousavi-Khoshdel, Hamidreza Rezania, Hadi Behzadi,
PROGRESS IN ORGANIC COATINGS
2019
5
Density functional theory study of the CO adsorption on Ni4M (M?=?Mo, Sc, and Y) nanoclusters
Abdolhakim Pangh, Hadi Behzadi, Mehdi Ghaemi, Sepideh Sadani
Computational and Theoretical Chemistry
2019
6
The electronic structure and stability of germanium tubes Ge 30 H 12 and Ge 33 H 12
Long Van Duong, Eduard Matito, Miquel Solà, Hadi Behzadi, Mohammad Jafar Momeni, Minh Tho Nguyen
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2018
7
Synthesis and DFT calculations of some 2-aminothiazoles
Hamidreza Rezania, Hadi Behzadi, , Morteza Ehsani,
JOURNAL OF MOLECULAR STRUCTURE
2018
8
Application of calculated NMR parameters aromaticity indices and wavefunction properties for evaluation of corrosion inhibition efficiency of pyrazine inhibitors
Hadi Behzadi, Sergio Manzetti, Maryam Dargahi, Payman Roonasi, Zahra Khalil niyay
JOURNAL OF MOLECULAR STRUCTURE
2018
9
Correlation between electronic parameters and corrosion inhibition of benzothiazole derivatives- NMR parameters as important and neglected descriptors
Hadi Behzadi, Ali Forghani
JOURNAL OF MOLECULAR STRUCTURE
2017
10
Aromatic-like behavior of germanium nanocrystals
Hadi Behzadi, Zahra khalilnia
RSC Advances
2016
11
Ab initio study of two quinoline derivatives as corrosion inhibitor in acidic media electronic structure inhibitor metal interaction and nuclear quadrupole resonance parameters
Mohammad Jafar Momeni, Hadi Behzadi, Peyman Roonasi, S. Abolfazl Seyed Sadjadi, S. Morteza Mousavi-Khoshdel, S. Vahid Mousavi
RESEARCH ON CHEMICAL INTERMEDIATES
2015
12
A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process
Hadi Behzadi, Payman Roonasi, Mohammad Jafar Momeni, Sergio Manzetti, Mehdi D. Esrafili, I.B. Obot, Mostafa Yousefvand, S. Morteza Mousavi-Khoshdel
JOURNAL OF MOLECULAR STRUCTURE
2015
13
Relationship between 13C NMR Parameters and
Hadi Behzadi
Journal of Applied Chemical Research
2015
14
Relationship between electronic properties and drug activity of seven quinoxaline compounds A DFT study
Hadi Behzadi, Payman Roonasi, Payman Roonasi, Khatoon Assle taghipour, David van der Spoel, Sergio Manzetti
JOURNAL OF MOLECULAR STRUCTURE
2015
15
Intriguing properties of unusual silicon nanocrystals
Sergio Manzetti, Tian Lu, Hadi Behzadi, Mehdi D. Estrafili, Ha-Linh Thi Le, Holger Vach
RSC Advances
2015
16
A density functional study of silicon fullerene endohedral X Si20F20 and exohedral X-Si20F20 (X O2 S2 Se2 ) complexes
Hadi Behzadi, Mehdi D. Esrafili, Sergio Manzetti, Payman Roonasi
PHYSICA E-LOW-DIMENSIONAL SYSTEMS and NANOSTRUCTURES
2014
17
Design and synthesis of new family of ionic liquids based on 2-iminium-1 3-dithiolanes A combined theoretical and experimental effort
Azim Ziyaei Halimehjani, Mehdi Shakourian-Fard, Marziye Vahdati Farvardin, Mozhgan Raeesi, Mohammed Mahmoodi Hashemi, Hadi Behzadi
JOURNAL OF MOLECULAR STRUCTURE
2014
18
DNA methylation detection by a novel fluorimetric nanobiosensor for early cancer diagnosis
M. Dadmehr, M. Hosseini, S. Hosseinkhani, M.R. Ganjali, M. Khoobi, Hadi Behzadi, M. Hamedani, R. Sheikhnejad
BIOSENSORS and BIOELECTRONICS
2014
19
Structure and isomeric studies of 1 3-diaryl-H-benzo f chromene catalyst effect or thermodynamic stability An ab initio study
Hadi Behzadi
Iranian Journal of Catalysis
2013
20
A comparative study on carbon boron-nitride boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies
Mehdi D. Esrafili, Hadi Behzadi
JOURNAL OF MOLECULAR MODELING
2013
21
Fullerenes toxicity and electronic properties
Manzetti Sergio, Hadi Behzadi, Andersen Otto, David van der Spoel
Environmental Chemistry Letters
2013
22
A DFT study on carbon-doping at different sites of (8 0) boron nitride nanotube
Mehdi D. Esrafili, Hadi Behzadi
STRUCTURAL CHEMISTRY
2013
23
Synthesis and Template Studies of New Aza Macrocycles and one Cryptand Based on 2 6-diaminopyridine and its Computational NMR Studies Using Density Functional Theory
Abbas Shockravi, Mahmood Kamali, Hadi Behzadi, Somayeh Pahlavan Moghanlo, Mahdieh Nategholeslam
LETTERS IN ORGANIC CHEMISTRY
2013
24
Investigation into the nature of interactions in aspirin water clusters including SAPT AIM and NBO theories
Mehdi D. Esrafili, Hadi Behzadi
MOLECULAR SIMULATION
2013
25
A theoretical study on H-bonding interactions in maleic acid calculated 17 O 1 H NMR parameters and QTAIM analysis
Mehdi D. Esrafili, Hadi Behzadi
MOLECULAR SIMULATION
2012
26
Probing 13C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity
Hadi Behzadi, Mohamad Reza Talei Bavil Olyai, David van der Spoel
JOURNAL OF MOLECULAR MODELING
2011
27
مطالعه خواص هندسی، پایداری و الکترونی هتروفولرنهای (SiH)20-mXm (XNPAs) (m1251020) با استفاده از نظریه تابعیت چگالی
هادی بهزادی, زهرا یحیی ئی
نانو مقیاس
1396
مقالات ارایه شده
#
عنوان
نگارندگان
مشخصات کنفرانس
سال برگزارى
نوع ارائه
1
A theoretical investigation of aromatic nanocrystals Ge19X12(X H F Cl Br)
Hadi Behzadi
6th International Congress on Nanoscience Nanotechnology - Iran
1395/08/05
شفاهى
2
بررسی مشتقات کینولین به عنوان بازدارندههای خوردگی با استفاده از روش نظریه تابعیت چگالی
هادی بهزادی
سومین کنفرانس بین المللی دستاوردهای نوین پژوهشی در شیمی و مهندسی شیمی - ایران
1395/06/02
شفاهى
3
correlation between electronic parameters and corrosion inhibition of benzothiazole derivatives
Hadi Behzadi
18th iranian physical chemistry conference - Iran
1394/12/16
شفاهى