In The Name of God, The Compassionate, The Merciful
Hassan Sabzyan Curriculum Vitae
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A) Personal Information
Name: Hassan Sabzyan
Nationality: Iranian
Date of Birth: December 19th, 1965 (Abadan, Khuzestan)
Address: Department of Chemistry, University of Isfahan, Isfahan 81746-73441, I. R. Iran
Phone: +98 – 31 – 3793 4916, and +98 – 31 – 3793 2700 (secretary)
Fax: +98 – 31 – 3668 9732
E-mail: sabzyan@sci.ui.ac.ir
Academic Status: Professor of Physical Chemistry (Since 2011)
B) Educations
September 1979 – August 1983 High School (Diploma) in Mathematics and Physics
17th Shahrivar High School, Sari, Mazandaran, Islamic Republic of Iran
February 1984 – August 1987 Bachelor of Science (BSc) in Chemistry
University of Isfahan, Isfahan 81746-73441, Islamic Republic of Iran
September 1987 – December 1990 Master of Science (MSc) in Physical Chemistry
Thesis Title: Order-Disorder in Mixtures of Alkali and Alkaline Earth Feldspars.
Supervisor: Gh. Parsafar (Professor of Physical Chemistry at Isfahan University of Technology)
University of Isfahan, Isfahan 81746-73441, Islamic Republic of Iran
September 1993 – May 1997 Doctor of Philosophy (PhD) in Physical Chemistry
Thesis Title: A Combined Experimental and Theoretical Study of NMR Spin-Lattice Relaxation Times in HD-Ar and D2-Ar Mixtures.
Supervisors: Professor F. R.W. McCourt and Dr. W. P. Power,
University of Waterloo, Waterloo, Ontario N2L 3G1, Canada
C) Research Interests
1. Electric and Magnetic Properties of Molecules and Nano-size Materials.
(Nano-electronics, Nano-optics, Solid State Devices)
2. Computational Physics and Chemistry, Simulation and Molecular Modeling and Design.
3. Laser Spectroscopy and Interaction of Ultrashort Intense Laser Fields with Matter
4. Molecular Transport Properties and Relaxation Phenomena in the Gas Phase.
5. Chemical Kinetics and Reaction Dynamics.
6. NMR Spectroscopy.
7. Spectroscopy and Electrochemistry of Single Crystals and Self-Assembled Monolyers.
D) Practical Skills and Experiences
1. Establishment of the gas phase NMR experiments in the University of Waterloo (Canada) and successful relaxation time measurements on several gas phase samples including different isotopic hydrogen-argon mixtures.
2. Experience with NMR instruments and measurements, and familiarity with pulse programming for BRUKER NMR instruments.
3. Extensive experience with close-coupled (CC) calculations of the scattering cross sections using programs MOLSCAT and SBE.
4. Experience with DOS/WINDOWS/UNIX/LINUX computer operating systems and their related softwares, and writing c-shell scripts in UNIX/LINUX environment.
5. Extensive experience with FORTRAN-77 and familiarity with C and C++ scientific programming, familiarity and experience with MAPLE and MATLAB softwares.
6. Experience with molecular modeling, molecular dynamic simulations, and ab initio and semiempirical calculations (molecular structures and properties, interpretations) using softwares such as HyperChem, DL_POLY, GRPMACS, LAMMPS, Gaussian, and Wien2k.
7. Studies and thoughts in fundamental aspects of laser-molecule and laser-atom interactions.
8. Familiarity and experiences with UV-VIS, FT-IR, XRF Spectrometers, and SC-XRD, SPM.
9. Familiarity and experience with SPM (AFM, MFM, STM), SEM and TEM Techniques.
10. Experiences in purchasing/evaluation of scientific/industrial instruments/equipments.
E) Teaching Experiences
Undergraduate Courses:
Quantum Chemistry I, Atomic and Molecular Spectroscopy, Physical Chemistry I and II,
Physical Chemistry Laboratories I and II, General Chemistry I and II, Biophysical Chemistry, Chemistry Literature, English Language for Chemistry.
Graduate (MSc and PhD) Courses:
Quantum Chemistry II and III, Molecular Spectroscopy II and III, NMR Spectroscopy,
Chemical Kinetics and Reaction Dynamics, Computational Quantum Chemistry,
Non-Equilibrium Statistical Mechanics, Irreversible Thermodynamics, Molecular Modeling for Biophysics, Computational Medicinal Chemistry, Quantum and Computational Molecular Biology, Fundamentals of Nano Science and Nano Technology, Solid State Physical Chemistry.
F) MSc Theses Supervised
1. Theoretical analysis and simulation of J-coupling multiplet collapse of 1H-NMR spectrum of HD in the HD-Ar gas mixtures, and Its Temperature Dependence.
(Mrs. Anahita Saadatmand, University of Isfahan, January 1999)
2. Ab initio study of physical and chemical properties of pure and He-, Li- and Ne-doped graphite. (Miss. Masumeh Afiati, University of Isfahan, August 2000)
3. Ab initio study of physical and thermochemical properties of helium clusters.
(Mrs. Farzaneh Zanjanchi, University of Isfahan, August 2000)
4. Experimental and theoretical study of the kinetics and dynamics of sodium-water reaction and their correlation. (Mr. Mohsen Bahmani, University of Isfahan, August 2000)
5. Bloor, a sofware for determining crystalline structures from X-ray diffraction data.
(Mrs. Marzieh Kasaei, University of Zanjan, June 2001) Co-supervised by Dr. Ali Asghar Torabi
6. Ab initio and DFT study of one- and two-dimensional lithium lattices.
(Miss. Fakhrossadat Mohammadi, University of Isfahan, June 2002)
7. Ab initio study of the structure, thermochemical and spectroscopic properties, and possibility
of non-adiabatic crossing between potential energy curves of two internal motions of the
2-hydroxy-4-phenyl-2,4-cyclopentadien-1-one (HPCP) molecule.
(Mr. Afshin Abbassi, University of Isfahan, September 2002)
Advised by Professor Majid MirMohammad Sadeghi
8. Ab initio study of some oxiranes and thiiranes, and the kinetics and mechanism
of the oxirane à thiiranes reactions.
(Mr. Mohammad-Hossein Ghaderi-Moghaddam, University of Isfahan, August 2003)
Co-supervised by Professor Iraj Mohammadpour Baltork
9. Theoretical study of the kinetics and mechanism of the pyrolysis of methane on the graphite Surface.
(Mr. Mohammad-Bagher Moheb-Ali, Ferdowsi University of Mashhad, February 2003)
Co-supervised by Professor Seyyed Faramarz Tayyari
10. Semiempirical and molecular dynamics study of the pyrolysis of methane on the graphite surface. (Miss. Mahnaz Babajani, University of Lorestan, September 2003)
Co-Supervised by Dr. Reza Sadeghi Sarabi
11. Molecular dynamics and NMR study of the orientation of small solutes in Water.
(Miss. Razieh Amiri, University of Isfahan, June 2004)
12. Contribution of vibrational motion to NMR shielding constants (and line-shapes).
(Miss. Behnaz Buzari, University of Isfahan, June 2005)
13. Ab initio study of intramolecular oxygen exchange in some heterocyclic compounds.
(Mrs. Mojgan Mokhtari, University of Yazd, September 2005)
Co-Supervised by Dr. Mohammad Reza Nourbala
14. Theoretical and computational study of the optical rotation of small molecules containing one and two chiral centers. (Miss. Fariba Taghavi, University of Isfahan, October 2005)
15. Synthesis and characterization of copper quantum dots based on alumina template.
(Mr. AbdolReza HajHashemi, University of Isfahan, November 2008)
Co-Supervised by Dr. Reza Karimi Shervedani
16. Design and ab initio characterization of a family of di- and tri- substituted benzene cores
as potential quantum dots for nanocircuit devices.
(Miss. Zeinab Noorisafa, University of Isfahan, September 2008)
17. Computational study of the formation and addition reactions of benzyne.
(Miss. Sedigheh Hosseini, Payam-Noor University of Ardakan, February 2008)
Advised by Dr. Reza Behjatmanesh Ardakani
18. Computational study of the characteristics of CdSe nanoparticles and their size-dependence.
(Mrs. Hoda Iravanizadeh, Payam-Noor University of Shiraz, March 2009)
Co-Supervised by Dr. Masoud Kavosh Tehrani
19. Synthesis and QSAR study of some 4-heteroaryl-2,6-dimethyl-3,5-bis-N-phenyl(pyridyl)-
1,4-dihydropyridin derivatives having pharmaceutical effects.
(Miss. Fatemeh Safari, Medical University of Isfahan, August 2010)
Co-Supervised by Dr. Afshin Fasihi and Dr. Farshid Hassanzadeh
20. Density functional theory study of the charged adamantanes and sila-adamantanes.
(Miss. Behnaz Saed, University of Isfahan, September 2010)
21. A new Index for the description of the asymmetry of the electron density.
(Miss. Nargess Sadeghpour, University of Isfahan, September 2010)
22. Molecular Dynamics Simulation of the diffusive flow inside carbon nano-tori.
(Miss. Samira Gholami, University of Isfahan, September 2010)
23. Molecular dynamics simulation study of lithium carbides.
(Miss. Hajar Nematollahi, University of Isfahan, October 2010)
24. Computational study of the effects of fluorination on the physicochemical properties of 3-hydroxypyridinones.
(Dr. Danial Shamshirian, Medical University of Isfahan, Dept. of Pharmacy, February 2010).
Co-Supervised by Dr. Lotfollah Saghaee Dehkordi
25. Molecular dynamics simulation study of the scattering of Ne and Ar from SiC surface.
(Miss. Arezu Dehbashi, University of Isfahan, October 2010)
26. Evolution of free electron wavepacket to bound electron wavefunction.
(Miss. Fatemeh Alavi, University of Isfahan, July 2011), Advised by Dr. Mohsen Vafaee
27. Evolution of the
two-dimentional 
electron
and nuclear wavepackets under magnetic and electric fields of ultrashort
intense laser pulse.
(Mr. Hamed Ahmadi, University of Isfahan, July 2011), Advised by Dr. Mohsen Vafaee.
28. Molecular dynamics simulation of diffusion phenomena through polymer-clay nanocomposites films. (Mr. Amir-Hossein HajiAlirezaee, University of Isfahan, September 2011)
Co-Supervised by Dr. Amir-Hossein Navarchian.
29. Synthesis and QSAR MLR study on 3-hydroxypyrimidinon anti-malaria drugs.
(Dr. HamidReza Sakhi, Faculty of Pharmacy, Isfahan University of Medical Science, 2012)
Co-Supervised by Dr. Lotfollah Saghaee.
30. Kinetics and dynamics of diffusive dissolution of NaOH and KOH in water.
(Miss. Maryam SeyyedSharifi, University of Isfahan, 2013)
31. Computational Study of Oxyluciferine.
(Miss. Faezeh Seddighi, University of Isfahan, February 2014)
32. Molecular dynamic simulation of the vibration of Silicon carbide nanotubes.
(Miss. Maryam Ramazani, University of Isfahan, July 2014)
33. Investigation of the activity of the self-assembled monolayer of Glucose oxidase on the gold surface using STM method.
(Mr. Abbass Derakhshan, University of Isfahan, September 2014)
34. Reactive molecular dynamic simulation of the formation of fume silica.
(Mr. Mohamad Ebrahim Izadi, University of Isfahan, August 2015)
35. Kinetic modeling of the formation of fume silica.
(Mr. Farhad Ghalami, University of Isfahan, September 2015)
36. Quantum Evolution of the Wavepacket in Electron Capture Process.
(Mrs. Nasrin Sadeghi, University of Isfahan, July 2018)
37. Molecular dynamics simulation of the flow of a gas mixture in multilayer graphene oxide
(Mr. Meysam Hadian, in progress)
38. Synthesis, characterization and computational studies on NiCo2O4 as photocatalyst.
(Mr. Mojtaba Beiranvand, University of Isfahan, September 2017)
Co-supervised by Emeritus Professor M. H. Habibi
39. Synthesis, characterization and computational studies on CuFe2O4 as photocatalyst.
(Mrs. Mahsa Mirzaee, University of Isfahan, December 2017)
Co-supervised with Emeritus Professor Habibi
40. Computational study on the spectro-electrochemistry of guanine.
(Miss. Fatemeh Tabesh, University of Isfahan, August 2018)
G) PhD Theses Supervised
1. Ab initio study of the F2-F2 interaction potential energy surface and calculation
of some transport properties of the F2 gas.
(Dr. Mohammad-Reza Noorbala, University of Isfahan, August 2003)
2. Theoretical study of the ionization rates of H2+ and D2+ molecular ions in ultra-short
intense laser fields. (Dr. Mohsen Vafaee, Tarbiat Modares University, December 2004).
3. Theoretical design and computational characterization of multipole molecular switches.
(Dr. Davood Farmanzadeh, University of Isfahan, August 2006).
4. Characterization of the flow of the CO/CO2 gases through carbon nanotube junctions
using molecular dynamic simulations. (Dr. Z. Tavangar, University of Isfahan, September 2009)
5. Theoretical study of the interaction of ultra-short intense laser fields with two-electron H2 system. (Miss. Behnaz Buzari, University of Isfahan, 2013), Co-supervised by Dr. M. Vafaee
6. Theoretical and computational study of the Peltier effect in molecular nanoelectronic systems.
(Mr. Reza Safari-Sichani, University of Isfahan, February 2014).
7. Theoretical study of the magnetic interaction of ultra-short intense laser fields with H2+ and D2+ molecular ions. (Mr. Hossein Ebadi, University of Isfahan, 2004, discontinued).
8. Potential energy curves and spectroscopic properties of diatomic dianions.
(Miss. Zeinab Noorisafa, University of Isfahan, February 2014)
9. Potential energy curves and spectroscopic properties of diatomic dications.
(Mrs. Elham Keshavarz, University of Isfahan, August 2014)
10. Evolution of electron wavefunction during electron transfer process
(Mr. Mohammad Jafar Jenabi, University of Isfahan, 2016)
11. Computational study of charge distribution in neighboring grapheme sheets.
(Mrs. Nargess Sadeghpour, University of Isfahan, 2016)
12. Spin dynamics in the interaction of highly charged species with intense laser pulses.
(Mr. Yusof Korrani, University of Isfahan, January 2018)
13. Molecular dynamic simulation of the cyclotron motion of ions and water molecules in a carbon nanotorus induced by rotating electric field.
(Miss. Maryam-al-Sadat Kowsar - Shahid Beheshti University, 2017)
14. Forward scattering in the interaction of ultrashort intense laser pulses with H2+ system.
(Miss. Fatemeh Gheisi, University of Isfahan, 2015, in progress)
15. Preparation and computational studies on a couple of new optodes for iron(III)
(Mr. Mohsen Movahedi, University of Isfahan, 2014 in progress)
Co-supervising with Dr. AliReza Firouz)
16. Computational (DFT) study of the iron perovskite as a potential candidate to replace the present lead perovskite. (Mrs. Foruzan Ghader, University of Isfahan, 2015, in progress)
H) MSc Theses Advised
1. Calculation of EFGs and NQR frequencies of 14N in two polycyclic aromatic compounds using ab initio calculations. (MSc Thesis of Mr. Nasser Zamand, March 2002)
Supervisor: Professor Nasser L. Hadipour, Tarbiat Modares University.
2. Calculation of structure factor and surface tension of liquid alkali metals using LIR and DSEOS.
(MSc Thesis of Mr. Reza Safari Sichani, September 2003)
Supervisor: Dr. Nahid Farzi, Department of Chemistry
3. A dynamics investigation of H abstraction reaction of OH radical and CH3CHF2.
MSc Thesis of Mr. Mehdi Taghikhani, January 2005.
Supervisor: Professor Gholam-Abbass Parsafar (Sharif University of Technology).
4. Investigation of liquid-liquid phase equilibria in aqueous systems using Monte-Carlo simulations. (MSc Thesis of Miss. Mitra Hajipur, July 2009)
Supervisors: Dr. S. F. Aghamiri and F. Seyedeyn-Azad, Department of Chemical Engineering
5. Experimental and modeling study of adsorption of heavy metals by γ-alumina nanoparticles
MSc Thesis of Mrs. Maliheh Fouladgar, MSc, November 2012.
Supervisor: Dr. Masoud Beheshti, Department of Chemical Engineering
6. Experimental measurements and predictions of the size distribution of water droplets in water-oil emulsions. (MSc Thesis of Mr. Arash Amani, MSc, February 2014)
Supervisor: Dr. AliReza SoleimaniNazar, Department of Chemical Engineering
7. Molecular dynamics simulation of proton conductivity in PCMOF2.
MSc Thesis of Mrs. Fatemeh Rahimi, September 2018, Supervised by Dr. Nahid Farzi
8. Molecular dynamics simulation of the diffusion of acetylene molecules in MOF-508b and hydrogen molecules in MOF-508a. MSc thesis of Mrs. Nafiseh Salehi, February 2016.
Supervised by Dr. Nahid Farzi
9. Molecular Dynamics Simulation of Acetylene Diffusion in MOF-508a.
MSc thesis of Miss. Atefeh Mahboobi, August 2014.
Supervised by Dr. Nahid Farzi.
10. Investigation of Fe3C corrosion using molecular dynamics simulation.
MSc Thesis of Mohammad Hossein Heidarifar, November 2019.
Supervisor: Dr. Nahid Farzi, (Department of Chemistry University of Isfahan)
I) PhD Theses Advised
1. Photocatalytic ring opening of α–epoxy ketones in the presence of different nucleophiles
PhD Thesis of Dr. Farzad Nikpour, December 2001.
Supervisor: Professor HamidReza Memarian, University of Isfahan.
2. Stereoelectronic effects on the structure, energetic and reactivity of some organic compounds.
PhD Thesis of Dr. Sattar Arshadi, October 2005.
Supervisor: Professor Mohammad Zaman Kassaee, Tarbiat Modares University.
3. Theoretical and Fluorescence study of some Aflatoxins, and their determination using multi-linear regression analysis. PhD Thesis of Dr. Mohammad Aghamohammadi, January 2007.
Supervisor: Professor Nader Alizadeh, Tarbiat Modares University.
4. Oxidation of some dihydropyrimidinones under thermal condition, and UV-Vis, ultrasonic and microwave irradiations. PhD Thesis of Dr. Asadollah Farhadi, September 2009.
Supervisor: Professor HamidReza Memarian, University of Isfahan.
5. Immobilization of bronic and hydroxamic acid functionalized surfaces on gold via in-situ layer-by-layer functionalization of self-assembled monolayers: preparation, electrochemical characterization and application, PhD Thesis of Dr. Mojtaba Bagherzadeh, September 2009.
Supervisor: Dr. Reza Karimi Shervedani, University of Isfahan.
6. Synthesis and oxidation of some new 2-oxo-1,2,3,4-tetrahydropyrimidin-5-carboxamides under thermal conditions, ultrasound, microwave, and ultraviolet irradiations.
PhD Thesis of Dr. Musa Soleymani, February 2011.
Supervisor: Professor HamidReza Memarian (Department of Chemistry, University of Isfahan)
7. DFT and TD-DFT investigation of physical and chemical properties of azo/hydrazone dyes adsorbed on the cellulose fibers. PhD Thesis of Dr. Farzaneh Zanjanchi, February 2011
Supervisor: Professor Nasser L. Hadipour, Tarbiat Modares University.
8. Preparation and study of new molecular nanostructures on the gold surface based on in-situ and ex-situ ferrioxamation using CV, SWV, EIS and STM techniques.
PhD Thesis of Dr. Zakieh Akrami, October 2012
Supervisor: Professor Reza Karimi Shervedani
9. Simulation of adsorption from air flown over a zeolite bed using lattice Boltzmann method. PhD Thesis of Dr. Mahdi Rahmani Gurtani, PhD, March 2013
Supervisor: Professor Mahmood Ashrafizadeh (Isfahan University of Technology)
10. A Mont-Carlo simulation study of adsorption of CO2 and SO2 gases on carbon nanotube and graphene. PhD Thesis of Mrs. Zahra Nickmand, PhD, November 2013.
Supervisor: Dr. S. F. Aghamiri and Dr. M. R. Talaie, Department of Chemical Engineering
11. Synthesis and photochemical and computational study of 4,5-dihydropyrazoles.
PhD Thesis of Dr. Marzieh Soltani, May 2020.
Supervisor: Professor HamidReza Memarian, Department of Chemistry
12. Simulation of the pressure swing adsorption of CO2 on metal organic frameworks with sigmoid isotherms.
PhD Thesis of Ehsan Ekramian, PhD, March 2021.
Supervisor: Dr. S. F. Aghamiri and Dr. M. R. Talaie, Department of Chemical Engineering
13. Investigation of the structural, dynamical, and thermodynamic properties of magnetic ionic liquids and their application in desulfurization process of diesel oil model: A molecular dynamics simulation
PhD Thesis of Azadeh Daneshvar, PhD, September 2021.
Supervisor: Dr. Majid Moosavi (Department of Chemistry, University of Isfahan)
14. Designing mixed-component MIL-101 to optimize the process of carbon dioxide capturing from flue gas using multi-scale modeling method (combination of microscopic simulation and macroscopic modeling).
PhD Thesis of Mina Seddighi, PhD, February 2022.
Supervisor: Dr. M. R. Talaie and Dr. S. F. Aghamiri and, Department of Chemical Engineering
15. Synthesis and photochemical and computational study of 4,5-dihydro-1,2,4-oxadiazoles.
PhD Thesis of Mehrnoosh Asgari, in progress.
Supervisor: Professor HamidReza Memarian (Department of Chemistry, University of Isfahan)
J) Publications
121. Mehrnoush Asgari, HamidReza Memarian, Hassan Sabzyan
Cyclic voltammetric and DFT computational studies of 3, 5-disubstituted 4, 5-dihydro-1, 2, 4-oxadiazoles: Steric and electronic effects
Journal of Molecular Structure, 134662, in press
https://doi.org/10.1016/j.molstruc.2022.134662
120. Marzieh Soltani, Soroush Sardari, Hassan Sabzyan, Fahime Ghasemi
Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking
Physical Chemistry Research 11 (4), 707-723
https://doi.org/10.22036/pcr.2022.353920.2192
119. Mohammad Ebrahim Izadi and Hassan Sabzyan
Reactive Molecular Dynamics Simulation of the Structural Damages of the B-DNA Induced by the Oxidation/Nitration of Guanine
The Journal of Physical Chemistry B, in press
https://doi.org/10.1021/acs.jpcb.2c05151
118. Mehrnoush Asgari, HamidReza Memarian, Hassan Sabzyan
Electron-transfer induced photo-oxidation of 4,5-dihydro-1,2,4-oxadiazoles: Experimental and computational studies
Journal of Photochemistry and Photobiology A: Chemistry, 432 (2022) 114032,
https://doi.org/10.1016/j.jphotochem.2022.114032
117. Mahsa Mirzaei, Mohamad Hossein Habibi, Hassan Sabzyan
Synthesis, characterization, and dye degradation photocatalytic activity of the nano-size copper iron binary oxide
Environmental Science and Pollution Research, 29 (2022) 9173–9192.
https://doi.org/10.1007/s11356-021-16184-4
116. Mina Sedighi, Mohammad Reza Talaie, Hassan Sabzyan, Seyyed Foad Aghamiri, Pu Chen
Evaluating equilibrium and kinetics of CO2 and N2 adsorption into amine-functionalized metal-substituted MIL-101 frameworks using molecular simulation
Fuel, 308 (2021) 121965.
115. Hassan Sabzyan, Forouan Ghaderi
Evaluation of the optical properties of the lead-free mixed-halide perovskite
CH3NH3FeI2Br for application in solar cells: A computational study
Materials Today Communications, 32, 465501, 2020
114. Fatemeh Tabesh, Hassan Sabzyan
Computational Study of the Precursor Spectroelectrochemistry of Guanine
Physical Chemistry Research, 8 (2020) 719-735.
113. Mohammad Ebrahim Izadi, Hassan Sabzyan
A Reactive Molecular Dynamics Simulation of the Flame Synthesis of Silica Nanoparticles
Physical Chemistry Research, 8 (2020) 629-644.
112. Nahid Farzi, Mohamad Hossein Hydarifard, Mohamad Ebrahim Izadi, Hassan Sabzyan
Investigation of iron carbide (Fe3C) corrosion in water and acidic solution using ReaxFF molecular dynamics
Journal of Molecular Liquids, 318 (2020) 114006.
111. Hassan Sabzyan, F Ghaderi
Computational study of iron perovskite CH3NH3FeI3 as an alternative to the lead perovskite CH3NH3PbI3 for application in solar cells
Journal of Physics: Condensed Matter, 32 (2020) 465501.
110. A Daneshvar, M Moosavi, Hassan Sabzyan
A Molecular Dynamics Study on the Magnetic Imidazolium-based Ionic Liquids: Effect of an External Magnetic Field
Physical Chemistry Chemical Physics, 22 (2020) 13070-13083.
109. M Asgari, HR Memarian, Hassan Sabzyan
Experimental and computational spectroscopic studies of 3, 5-disubstituted 4, 5-dihydro-1, 2, 4-oxadiazoles
Journal of Molecular Structure, 1207 (2020) 127820.
108. H Shirani, Hassan Sabzyan
Computational study of [(phenanthroline)2FeII/III–(terephthalate)–CoIII/II(phenanthroline)2]3+ binuclear complex.
Structural Chemistry, 31 (2020) 809-821.
107. E Ekramian, S Aghamiri, MR Talaie, Hassan Sabzyan
Computational comparison of the application of doping, functionalization and ion exchanged of adsorbent structures on the pressure swing adsorption
Fluid Phase Equilibria, 508 (2020) 112432.
106. N Farzi, F Rahimi, Hassan Sabzyan
Proton conductivity of β-PCMOF2 in different temperatures and external electric fields: an insight from molecular dynamics simulation
Materials Today Communications, 22 (2020) 100741.
105. M Soltani, HR Memarian, Hassan Sabzyan
Photooxidation of 3, 5-diaryl-1-phenyl-2-pyrazolines: Experimental and computational studies
Journal of Photochemistry and Photobiology A: Chemistry, 389 (2020) 112285.
104. B Saed, Hassan Sabzyan
Quantum computational study of non-linear optical properties of some phenanthrene derivatives
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 222 (2019) 117133.
103. R Karimi Shervedani, Z Akrami, F Yaghoobi, M Torabi, Hassan Sabzyan
Physicochemical Properties of Nanostructured Complexes Formed between Deferrioxamine Siderophore and Zr (IV), Hf (IV), or Fe (III) Metal Ions at the Gold Electrode/Solution …
The Journal of Physical Chemistry C, 123 (2019) 29932-29945.
102. H Shirani, Hassan Sabzyan
Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M= V, Cr, Mn, Fe and Co.
Computational and Theoretical Chemistry, 1155 (2019) 29932-29945.
101. Hassan Sabzyan, F Ghalami
Electric field effects on the growth of flame-synthesized nanosilica: a two-stage modeling
Journal of the Iranian Chemical Society, 16 (2019) 963-978.
100. Hassan Sabzyan, H Shirani
Bistability of an iron‐cobalt binuclear complex
International Journal of Quantum Chemistry, 119 (2019) e25856.
99. R Safari, Hassan Sabzyan
Local Energy Dissipation/Transition in Field Effect Molecular Nanoelectronic Systems: a Quantum Mechanical Methodology
Communications in Theoretical Physics, 71 (2019) 441.
98. M Soltani, R Minakar, HR Memarian, Hassan Sabzyan
Cyclic Voltammetric Study of 3, 5-Diaryl-1-phenyl-2-pyrazolines
The Journal of Physical Chemistry A, 123 (2019) 2820-2830.
97. M Kowsar, Hassan Sabzyan
Nano-sized local magnetic field induced by circular motion of ions and molecules in a nanotorus under gigahertz rotating electric fields
Molecular Physics, 117 (2019) 110-121.
96. M Soltani, HR Memarian, Hassan Sabzyan
Spectroscopic studies of aryl substituted 1-phenyl-2-pyrazolines: Steric and electronic substitution effects
Journal of Molecular Structure, 1173 (2018) 903-917.
95. HR Memarian, M Kalantari, Hassan Sabzyan
NMR and DFT Studies of 2-Oxo-1, 2, 3, 4-tetrahydropyridines: Solvent and Temperature Effects
Australian Journal of Chemistry, 71 (2018) 380-388.
94. Nahid Farzi, Nafiseh Salehi, HassanSabzyan
Diffusion of hydrogen molecules in MOF-508a with a reversible open-dense framework: A computational study”
Chemical Physics Letters, 686 (2017) 26-33.
93. Mohammad Hossein Habibi, Mojtaba Beyranvand and Hassan Sabzyan
“Sol-gel preparation, structural, thermal and spectroscopic analyses, and opto-electronic and photocatalytic activities of normal spinel nickel cobaltite nano-powder for photo-degradation of Reactive Red RB”
Journal of Material Science: Material Electronics, 28 (2017) 8546–8553.
92. Youssef Korani and Hassan Sabzyan
“Electron spin fluctuation in intense laser fields”
Phys. Chem. Chem. Phys., 19 (2017) 31138-31155.
91. Hassan Sabzyan and Maryam Kowsar
“Molecular dynamics simulations of electric field induced water flow inside a carbon nanotorus: a molecular cyclotron”
Phys. Chem. Chem. Phys., 19 (2017) 12384-12393.
90. Youssef Korani and Hassan Sabzyan
“Spin dynamics in HeH2+ molecular ion in intense laser fields”
Phys. Chem. Chem. Phys., 18 (2016) 31606-31621.
89. Hassan Sabzyan and Maryam Kowsar
“Molecular dynamics simulation of the cyclotron motion of ions in a carbon nanotorus induced by gigahertz rotating electric field”
Molecular Simulation, 44, (2018) 263-273.
88. Hassan Sabzyan and Nargess Sadeghpour
“Importance First Principle DFT Study of Electric Field Effects on the Characteristics of Bilayer Graphene”
Zeitschrift für Naturforschung A, 72, (2017) 1–7.
87. Arash Amani; Ali Reza Solaimany Nazar; Hasan Sabzyan; Gholamhassan Azimi
“The measurement of droplet size distribution of water-oil emulsion through NMR method”
Journal of Particle Science & Technology, 2 (2016) 31-39.
86. Hassan Sabzyan and Mohammad Jafar Jenabi
“Quantum dynamics of electron capture process during H–He2+ collision”,
Journal of the Iranian Chemical Society, 14 (2017) 1815–1826.
85. Amir H. Haji Alirezaie, Amir H. Navarchian, and Hassan Sabzyan.
Molecular dynamics simulation of gas diffusion in polyethylene-clay nanocomposites with different silicate layers configurations
Polymer Sciences A, 58 (2016) 487-498.
84. Hassan Sabzyan and Nargess Sadeghpour
“Importance of Unit Cells in Accurate Evaluation of the Characteristics of Graphene”
Zeitschrift für Naturforschung A, 71 (2016) 315.
83. Hassan Sabzyan and Mohammad Jafar Jenabi
“Electron quantum dynamics in atom-ion interaction”,
J. Chem. Phys., 144 (2016) 134306.
82. Masoud Beheshti, Maliheh Fouladgar, Hassan Sabzyan,
“Single and binary adsorption of nickel and copper from aqueous solutions by γ-alumina nanoparticles: Equilibrium and kinetic modeling”
Journal of Molecular Liquids, 211 (2015) 1060-1073.
81. Mohammad Mahmoudzadeh, Afshin Fassihi, Farid Dorkoosh, Reyhaneh Heshmatnejad, Karim Mahnam, Hassan Sabzyan, Amir Sadeghi
“Elucidation of Molecular Mechanisms Behind the Self-Assembly Behavior of Chitosan Amphiphilic Derivatives through Experiment and Molecular Modeling”
Pharmaceutical Research, 32 (2015) 3899-3915.
80. Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, Hassan Sabzyan
“Theoretical studies on the deacylation step of acylated Candida Antarctica lipase B: Structural and reaction pathway analysis”
Journal of Molecular Graphics and Modelling, 57 (2015) 9-19.
79. Reza Karimi Shervedani, Zeinab Rezvaninia, Hassan Sabzyan
“Oxinate-Aluminum (III) Nanostructure Assemblies Formed via In-situ and Ex-situ Oxination of Gold-Self-Assembled Monolayers Characterized by Electrochemical, Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy, and X-ray Photoelectron Spectroscopy Methods”
Electrochimica Acta, 180 (2015) 722-736.
78. Hassan Sabzyan, Elham Keshavarz and Zeinab Noorisafa
“Evaluation of the B3LYP and HSE06 density functionals in the calculation of spectroscopic properties of the HCl2+ dication”
Journal of Iranian Chemical Society, 12 (2015) 581–586.
77. Elham Keshavarz, Hossein Farrokhpour, Hassan Sabzyan, Zeinab Noorisafa, Antti Kivimäki and Robert Richter
Core photoionization of the argon dimer in the 255–340-eV photon-energy range studied by a photoelectron-photoion-photoion coincidence technique.
Physical Review A, 89 (2014) 053409.
76. Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, Hassan Sabzyan
“Reaction mechanism and free energy profile for acylation of Candida Antarctica Lipase B
with Methylcaprylate and Acetylcholine; Density functional theory calculations”
Journal of Molecular Graphics and Modelling, 54 (2014) 131-140
75. Hassan Sabzyan, Narges Sadeghpour
A Minimum Asymmetry Index for Measuring Asymmetry of the Electron Density Distribution.
MATCH (Communications in Mathematical and in Computer Chemistry), 72 (2014) 359-373.
74. Zahra Nickmand, Seyed Foad Aghamiri, Mohammad Reza Talaie Khozanie and Hassan Sabzyan
“A Monte Carlo Simulation of the Adsorption of CO2 and SO2 Gases in Pure and Functionalized Single Walled Carbon Nanotubes”
Separation Science and Technology, 49 (2014) 1–7.
73. H. Ahmadi, A. Maghari, H. Sabzyan, A. R. Niknam, and M. Vafaee
“Effect of nuclear motion on high-order-harmonic generation of H2+ in intense ultrashort laser pulses”
Physical Review A, 90 (2014) 043411.
72. Hassan Sabzyan, Seyyed Hamed Ahmadi and Mohsen Vafaee
High-order harmonic generation by H2+ in super-intense xuv ultrashort laser pulses.
J. Phys. B: At. Mol. Opt. Phys., 47 (2014) 105601.
71. Zeinab Noorisafa, Hassan Sabzyan, Elham Keshavarz
Metastable excited states of OBr2– and OCl2– dianions.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 132 (2014) 672-677.
70. Narges Yaghoobi Nia, Pooria Farahani, Hassan Sabzyan*, Mahmoud Zendehdel and Mohsen Oftadeh
A combined computational and experimental study of the [Co(bpy)3]2+/3+ complexes as one-electron outer-sphere redox couples in dye-sensitized solar cell electrolyte media.
Phys. Chem. Chem. Phys. 16 (2014) 11481.
69. Reza Karimi Shervedani, Zeinab Rezvaninia, Hassan Sabzyan, Hassan Zali Boeini
Characterization of gold-thiol-8-hydroxyquinoline self-assembled monolayers for selective recognition of aluminum ion using voltammetry and electrochemical impedance spectroscopy.
Analytica Chimica Acta, 825 (2014) 34-41.
68. Hassan Sabzyan and Fariba Taghavi
Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center.
Physical Chemistry Research, 2 (2014) 41-522.
67. Hassan Sabzyan, Zeinab Noorisafa, Elham Keshavarz
Ground and excited states of the diatomic dianion Cl22–.
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy, 117 (2014) 95-101.
66. Hassan Sabzyan, Elham Keshavarz and Zeinab Noorisafa
“Diatomic dications and dianions”. (a review article)
Journal of Iranian Chemical Society, 11 (2013) 871-945.
65. Zahra Nickmand D. D. Do, D. Nicholson, Seyed Foad Aghamiri, Mohammad Reza Talaie Khozanie and Hasan Sabzyan
“GCMC simulation of argon adsorption in wedge shaped mesopores of finite length”
Adsorption, 19 (2013) 1245–1252.
64. Hossein Tavakol and Hassan Sabzyan
“Possibility of non-adiabatic level crossing by DFT study of tautomerism and potential energy surfaces in of 3-hydroxy-5-(pyrimidin-2-yl)-2H-pyrrol-2-one and its tautomer”
Journal of Physical Organic Chemistry, 24 (2011), 414-422.
63. Hassan Sabzyan and Behnaz Saed
“Computational study of adamantanes using floating basis functions”
Structural Chemistry, 25 (2014) 1207-1216.
62. Hamid R. Memarian, Fahimeh Rezaie, Hassan Sabzyan and Mahnaz Ranjbar
“Substituent effect on the tautomerism of 5-acetyl-2-methoxydihydropyrimidines: experimental NMR and computational DFT studies”
Journal of Iranian Chemical Society, 11 (2014) 1265–1274 DOI 10.1007/s13738-013-0395-1
61. Behnaz Buzari, Mohsen Vafaee, Hassan Sabzyan
“High harmonic generation from pre-ionized H2 in ultrashort intense laser fields.”
Journal of Physics B: Atomic, Molecular and Optical Physics, 46 (2013) 245401.
60. Hamid R. Memarian, Hassan Sabzyan & Mahnaz Ranjbar
“DFT study of 1-, 4-, and 5-substituted 2-oxo-1,2,3,4-tetrahydropyrimidines: substituent steric and electronic effects, and ring flipping”
Structural Chemistry, 25 (2014) 85-94.
59. Reza Safari and Hassan Sabzyan
“Detailed mapping of intramolecular energy transfer in field-effect single-molecule nanoelectronic devices”
Journal of the Iranian Chemical Society, 11 (2014) 1513-1532.
58. Farzaneh Zanjanchi, Nasser L. Hadipour, Hassan Sabzyan and Javad Beheshtian
“Theoretical investigation of azo dyes adsorbed on cellulose fibers: 2. Spectroscopic study”
Journal of the Iranian Chemical Society, 11 (2014) 111–121.
57. Farzaneh Zanjanchi, Nasser L. Hadipour, Hassan Sabzyan and Javad Beheshtian
Theoretical investigation of azo dyes adsorbed on cellulose fibers: 1. Electronic and bonding structures.
Journal of the Iranian Chemical Society, 10 (2013) 985–999
56. Hamid Reza Memarian, Mahnaz Ranjbar, Hassan Sabzyan, Mohammad Hossein Habibi,
and Takayoshi Suzuki
“Molecular structure and conformational analysis of two 2-oxo(thioxo)-
1,2,3,4-tetrahydropyrimidine-5-esters”
Journal of Molecular Structure, 1048 (2013) 196–201
55. Hamid R. Memarian, Mahnaz Ranjbar, Hassan Sabzyan and Abolfazl Kiani
Substituent effects on the voltammetric studies of 2-oxo-1,2,3,4-tetrahydropyrimidines
Comptes Rendus Chimie, 15 (2012) 1001–1011
54. Hassan Sabzyan and Behnaz Saed
Computational study of aza-adamantanes as multivalent bases.
Structural Chemistry, 23 (2012) 1971-1979.
53. Lotfollah Saghaie, Hamidreza Sakhi, Hassan Sabzyan, Mohsen Shahlaei and Danial Shamshirian
Medicinal Chemistry Research, 7 (2012) 1-10.
52. Electrochemical probe of natural DNA attached onto the gold–thiol SAMs via Zr(IV) ion glue.
Reza Karimi Shervedani, Sima Pourbeyram, Hassan
Journal
of Electroanalytical Chemistry, 660 (2012) 37-44.
51. HamidReza Memarian, Mousa Soleymani and Hassan Sabzyan
Light-induced dehydrogenation of 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides.
Journal of the Iranian Chemical Society, 9 (2012) 805-813.
50. Mohsen Vafaee, Firoozeh Sami, Babak Shokri, Behnaz Buzari, and Hassan Sabzyan
Precise description of single and double ionization of hydrogen molecule in intense laser pulses.
Journal of Chemical Physics, 137 (2012) 044112.
49. Behnaz Buzari, Mohsen Vafaee, Hassan Sabzyan
Mapping
electron dynamics in molecular H2 using
high-order-harmonic-generation time profiles.
Physical Review A, 85 (2012) 033407.
48. Hassan Sabzyan and Reza Safari
Intramolecular
thermoelectric-like effects in field-effect molecular nanoelectronic devices.
Europhysics Letters, 99 (2012) 67005.
47. Reza Karimi Shervedani,
Zakyeh Akrami, Hassan Sabzyan
Nanostructure molecular assemblies constructed based on ex-situ and in-situ layer-by-layer
Ferrioxamation characterized by electrochemical and scanning tunneling microscopy
methods.
Journal of Physical Chemistry C, 115 (2011) 8042-8055.
46. Farzaneh Zanjanchi, Nasser L. Hadipour, Hassan Sabzyan, Javad Beheshtian
“Photo-oxidation of phenylazonaphthol dyes and their reactivity analysis in the gas
phase and adsorbed on cellulose fibers states using DFT and TD-DFT”
Dyes and Pigments, 89 (2011) 16-22.
45. HamidReza Memarian, Mousa Soleymani, Hassan Sabzyan, Mojtaba Bagherzadeh and Hamed Ahmadi
“Voltammetric oxidation of 2-oxo-1,2,3,4-tetrahydropyrimidin-5-carboxamides: substituent effects.”
Journal of Physical Chemistry A, 115 (2011) 8264-8270.
44. Mitra Hajipour, Seyyed Foad Aghamiri, Hassan Sabzyan, Fakhri Seyedeyn Azad
Extension of the exp-6 model to the simulation of vapor-liquid equilibria of primary alcohols and their mixtures.
Fluid Phase
Equilibria, 301
(2011) 73-79.
43. HamidReza Memarian, Hassan Sabzyan, Assadollah Farhadi
DFT study
of the molecular structure of 3,4-dihydropyrimidin-2(1H)-ones.
Monatshefte Fur Chemie, 141 (2010) 1203-1212.
42. HamidReza Memarian, Assadollah Farhadi, Hassan Sabzyan, Mousa Soleimani
Photo-oxidation of 5-acetyl-3,4-dihydropyrimidin-2(1H)-ones.
Journal of Photochemistry and Photobiology A – Chemistry, 209 (2010) 95-103.
41. HamidReza Memarian, Assadollah Farhadi, Hassan Sabzyan
Ultrasound-assisted
dehydrogenation of 5-acetyl-3,4-dihydropyrimidin-2(1H)-ones
Ultrasonics Sonochemistry, 17 (2010) 579-586.
40. Hossein Ebadi, Hassan Sabzyan
Evolution
of the H2+ electron wavepacket under magnetic and electric
fields of ultrashort intense laser pulse.
Journal of The Iranian Chemical Society, 6 (2009) 489-503.
39. Hassan Sabzyan, Hossein Ebadi
Ionization of a 1-D model of H2+ from different states in intense laser fields.
Iranian Journal of Science and Technology A, 33 (2009) 87-102.
38. Ali Reza Ashrafi, Masoud Hamadanian, Zahra Tavangar, Hassan Sabzyan,
Symmetry of a Capped Nanotube.
Digest Journal of Nanomaterials and Biostructures, 4 (2009) 319 – 322.
37. Hassan Sabzyan, Zahra Tavangar,
Characterization of the flow of the CO/CO2 gases through carbon nanotube junctions using molecular dynamic simulations.
Chemical Physics, 362 (2009) 120–129.
36. Hassan Sabzyan, Behnaz Buzari
Theoretical study of the contribution of vibrational motions to nuclear shielding constants.
Chemical Physics, 352 (2008) 297–305.
35. H. Loghmani-Khouzani*, H. Sabzyan, A. Rezaei-Pooranari
Synthesis and structure of α-azo-2-ketomethylquinolines.
Dyes and Pigments, 76 (2008) 447-454.
34. Hassan Sabzyan, Reza Safari,
Proposing the Design and Performance Analysis of an Intelligent Molecular Electronic System for Prognosis of Nervous and Epileptic Seizures. (In Persian Language)
Iranian Journal of Medical Hypotheses and Ideas, 3 (2009) 14:3(1-11).
33. Reza Karimi Shervedani, Mojtaba Bagherzadeh, Hassan Sabzyan, Reza Safari,
One-impedance for one-concentration impedimetry as an electrochemical method for determination of the trace zirconium ion.
Journal of Electroanalytical Chemistry, 633 (2009) 259–263.
32. Hamid Reza Memarian, Hassan Sabzyan, Asadollah Farhadi
Microwave-assisted
Oxidation of 3,4-Dihydropyrimidin-2(1H)-ones.
Zeitscherift Fur Naturforschung B - A Journal of Chemical Science, 64
(2009) 532-540.
31. Davood Farmanzadeh,
Hassan Sabzyan
Characterization of a candidate multi-pole molecular switch using computational
techniques.
Journal of Molecular Modeling, 14 (2008) 1023–1033
30. Mohsen Vafaee, Hassan Sabzyan, Zahra Vafaee, Ali Katanforoush
Detailed instantaneous ionization rate of H2+ in intense laser field.
Physical Review A, 74 (2006) 043416.
29. Mohsen Vafaee, Hassan Sabzyan
Reply to “Comment on ‘Detailed instantaneous ionization rate of H2+ in intense laser field.
Physical Review A, 76 (2007) 067402.
28. Hassan Sabzyan, Farzaneh Zanjanchi
Computational Study of the Dissolution of Some Atomic and Diatomic Species in the Square and Hexagonal 2-D Helium Lattices Computational Study of 3-D Helium Clusters.
Journal of the Chinese Chemical Society, 55 (2008) 962-970.
27. HamidReza Memarian, Hassan Sabzyan, Masoumeh Abdoli-Senejani
Conformational
analysis of some unsymmetrically substituted 1,4-dihydropyridines.
Journal of Molecular Structure – THEOCHEM, 813 (2007) 39-47.
26. HamidReza Memarian, Farzad Nikpour, Hassan Sabzyan
Photoinduced
electron transfer ring opening of alpha-epoxyketones using
7,7,8,8-tetracyano-p-quinodimethane (TCNQ).
Journal of The Iranian Chemical Society, 4 (2007) 37-45.
25. Hossein Nikoofard, Hassan Sabzyan
DFT study
of molecular structure and electronic properties of fluoromethylpyrrole
oligomers including di-, tri- and tetramer.
Journal of Fluorine Chemistry, 128 (2007) 668-673.
24. Hassan Sabzyan, Farzaneh Zanjanchi
A Computational Study of 3-D Helium Clusters.
Journal of the Chinese Chemical Society, 54 (2007) 843-852.
23. Hassan Sabzyan, Farzaneh Zanjanchi
A Theoretical Study of 1-D and 2-D Helium Lattices.
Journal of the Chinese Chemical Society, 54 (2007) 303-312.
22. Mohsen Vafaee, Hassan Sabzyan, Zahra Vafaee, Ali Katanforoush
Detailed instantaneous ionization rate of H2+ in intense laser field.
Physical Review A, 74 (2006) 043416.
21. Hassan Sabzyan, Davood Farmanzadeh
Electric field effects on the performance of a candidate multipole molecular switch, a quantum computational study.
Journal of Computational Chemistry, 28 (2007) 922-931.
20. Ali-Reza Ghaderi, Hassan Sabzyan, Nasser L. Hadipour
Correlation between NQR parameters and residue size of aliphatic amino acids and their dimers.
Biophysical Chemistry, 120 (2006) 62 – 70.
19. Mahdi Taghikhani, G. A. Parsafar, Hassan Sabzyan
Theoretical Investigation of the Hydrogen Abstraction Reaction of the OH Radical with CH3CHF2 (HFC152-a): A Dual Level Direct Density Functional Theory Dynamics Study.
J. Phys. Chem. A, 109 (2005) 8158-8167.
18. Abdollah Omrani, Hassan Sabzyan
Theoretical study of chloropyrroles as monomers for new conductive polymers.
J. Phys. Chem. A, 109 (2005) 8874-8879.
17. Hassan Sabzyan, Mehrdad Bamdad,
A theoretical study of the bonding structure of carbonyl sulfide (OCS).
THEOCHEM, 712 (2004) 109-115. (I have retracted this article, due to an illogical dispute initiated by the respected editor of THEOCHEM, Professor Dykstra.)
16. Hassan Sabzyan, Abdollah Omrani
Ab initio and density functional study of electrical and thermochemical properties of mono‑, di-, tri-, and tetrafluoro pyrroles and their cations and anions.
THEOCHEM, 713 (2004) 43-49. (I have retracted this article, due to an illogical dispute initiated by the respected editor of THEOCHEM, Professor Dykstra.)
15. Hassan Sabzyan, Mohsen Vafaee
Intensity dependence of the H2+ ionization rates in Ti:sapphire laser fields above the Coulomb-explosion threshold.
Physical Review A,71 (2005) 063404(1-6).
14. Soheila Javadian, Hassan Sabzyan
A theoretical study of the dimerization of 1,2-dithia-4-cyclohexene (or 3,6-dihydro-1,2-dithiin), and its corresponding O, N and Se-substituted relatives.
THEOCHEM, 723 (2005) 37–42.
13. Hassan Sabzyan, Mahnaz Babajani
A Semiempirical Quantum Mechanical Study of Methane-Graphite Interaction.
THEOCHEM, 726 (2005) 155-160.
12. K. Khosravi, H. Sabzyan, A. Zeini, G. A. Parsafar
A More Accurate Prediction of Liquid Evaporation Flux.
Iranian Journal of Chemistry and Chemical Engineering, 23 (2004) 45.
11. Hassan Sabzyan, Hossein Nikoofard
Halomethylpyrroles as candidate monomers for conducting polymers; A theoretical study.
Chemical Physics, 306 (2004) 107-115.
10. Mohsen Vafaee, Hassan Sabzyan
A detailed and precise study of the ionization rates of H2+ in intense laser fields.
Journal of Physics B: Atomic, Molecular and Optical Phys. 37 (2004) 4143-4157.
9. Hassan Sabzyan, Fakhrossadat Mohammadi
DFT study of one-dimensional lithium lattices as nanowires.
Chemical Physics, 301 (2004) 141-152.
8. Hassan Sabzyan, William P. Power, Frederick R. W. McCourt
Experimental and theoretical study of proton spin-lattice relaxation in H2–Ar gas mixtures: Critical examination of the XC(fit) potential energy surface.
Journal of Chemical Physics, 120 (2004) 4306-4315.
7. Hassan Sabzyan, Abdollah Omrani
Ab initio and DFT study of all mono-, di‑, tri-, and tetrafluoropyrroles and their cations; Predicting structural, spectroscopic, electropolymerization and electrochemical properties.
J. Phys. Chem. A, 107 (2003) 6476-6482.
6. Hassan Sabzyan, Zahra Kalantar
Ab initio RHF and density-functional B3LYP and B3PW91 study of (NPF2)n; n=2, 3, 4 and (NPX2)3; X=H, Cl, Br cyclic phosphazenes.
THEOCHEM, 663 (2003) 149-157.
5. Mohammad-Reza Noorbala, Hassan Sabzyan
A MP2/6-31G* intermolecular potential energy surface for the F2-F2 system.
THEOCHEM, 678 (2004) 67-76.
4. Hassan Sabzyan, Mohammad-Reza Noorbala
Basis set effects on the intermolecular interaction of the F2–F2 system.
THEOCHEM, 636 (2003) 185-193.
3. Hassan Sabzyan, Mohammad-Reza Noorbala
Ab initio and DFT study of carbon monoxide cyclic oligomers, (CO)2 to (CO)6.
THEOCHEM, 626 (2003) 143-158.
2. Hassan Sabzyan, William P. Power, Frederick R. W. McCourt
Proton and Deuteron Spin-Lattice Relaxation Times in HD-Ar Mixtures: A Combined Experimental and Theoretical Study.
Journal of Chemical Physics, 108 (1998) 6170-6184.
1. Hassan Sabzyan, William P. Power, Frederick R. W. McCourt,
Deuteron Spin-Lattice Relaxation Times in D2-Ar Mixtures: A Combined Experimental and Theoretical Study.
Journal of Chemical Physics, 108 (1998) 2361-2374.
K) Academic Affairs, Management Assignments and Executive Activities
1. Vice Chairman of the Department of Chemistry, University of Isfahan (2 years).
2. Teaching Evaluation Committee of the University of Isfahan (10 years).
3. Manager of the Foreign Purchase Department (8 years).
4. Member of the Engineering Sub-Committee of the Promotion Board (Hey’at Momayyezeh) of the University of Isfahan (10 years).
5. Head of the Central Laboratory of the University of Isfahan (2 years).
6. Chairman of the First Student Conference on the “Applications of Chemistry in Industry”, 2006.
7. Scientific Chairman of “The 10th Physical Chemistry Seminar of Iran”, (2007).
8. Member of the Scientific and Executive Committees of a number of Seminars and conferences.
9. Chairman of the Department of Chemistry, University of Isfahan (3 years)
10. Member of a number of University committees and Councils (various durations).
11. Member of the Board of Directors of the Iranian Chemical Society (4 years).
12. Accountant of the Iranian Chemical Society (2 years).
L) Oral and Poster Presentations (not updated, about 80 presentations)
1. The First Iranian Workshop on Computational Quantum Chemistry (as lecturer). Department of Chemistry, University of Shiraz, Shiraz, I. R. Iran, August 7-16, 2002.
2. Chemical Oscillations; Theory and Experimental Demonstration. Invited Speaker, Chemistry Seminar Series, June 1991, Shahid Baahonar University, Kerman, I. R. Iran. (Oral)
3. Order-Disorder in Mixtures of Alkali and Alkaline Earth Feldspars.
The 7th Iranian Chemistry and Chemical Engineering Conference, September 1-3, 1992, Shahid Montazeri Township Hall, Iranian Oil Company, Isfahan, I. R. Iran. (Oral)
4. Evaluation of Intermolecular Potentials Using NMR: A Spin-Lattice Relaxation Time Study of the HD-Ar System. MOOT-VIII NMR Symposium, September 30-October 1, 1995, University of Ottawa, Ottawa, Canada. (Oral)
5. NMR Spin-Lattice Relaxation Study of the HD-Ar System. The 11th Annual University of Waterloo Symposium on Chemical Physics, November 3-5, 1995, University of Waterloo, Waterloo, Canada. (Poster)
6. Gas Phase NOE measurement on HD-Ar Gas Mixtures. MOOT-IX NMR Symposium, October 5-6, 1996, Université Laval, Quebec City, Canada. (Poster)
7. Proton NMR Spin-Lattice Relaxation Times in H2-Ar Gas Mixtures. MOOT-XIII NMR Symposium, September 30-October 1, 2000, Department of Chemistry, University of Toronto, Canada. (Oral)
8. Prisoners of Alkatraz; A Semi-empirical Study of Encapsulated Small Hydrocarbons in C60 Cage, Probing Isotropy of the Internal Space of C60. University of Isfahan Research Week, February 26 - March 2, 2000. (Oral)
9. What NMR Can Tell Us About Intermolecular Potential Energy Surfaces. Chemical Physics/Physical Chemistry Seminars, Department of Chemistry, University of Waterloo, Waterloo, Canada, September 29th, 2000. (Oral)
10. Hassan Sabzyan, Anahita Saadatmand, “Observation of the Relaxational Collapse of the Deuteron-Proton J-Coupling Multiplets in the Gas Phase HD Molecule Over a Wide Range of Temperatures and Densities”, Proceedings of The Thirteenth Iranian Chemistry and Chemical Engineering Congress, February 16-18, 1999, Tarbiat Modarress University, Tehran, I.R. Iran. (Oral)
11. Hassan Sabzyan, “Semi-Empirical Study of 9-Crown-3 and Benzo-9-Crown-3 Gas Phase Complexes with H+, Li+, Na+, Be2+ and Mg2+ Cations”, Proceedings of The Fifth Iranian Seminar of Inorganic Chemistry, September 1-2, 1999, University of Isfahan, Isfahan, I. R. Iran. (Oral)
12. Hassan Sabzyan and Mohammad-Bagher Moheb-Ali, A Full Picture for the Pathways of the Pyrolysis Reaction of Methane on the Graphite Surface, Proceeding of The 7th National Iranian Chemical Engineering Congress (Extended Abstracts), Vol. 3, pp. 297-302, University of Teran, (28-31 October, 2002).
13. Hassan Sabzyan and Mohsen Vafaee, “H2+ and D2+ in intense laser fields”, The 3rd SESAME Users Meeting, Sabanci University, Antalya, Turkey, 11-13 October, 2004
14. Hassan Sabzyan, “Ultrashort intense laser fields and their application”,
(Invited Lecture) 12th Iranian Optics and Photonics Conference, 1-2 February, 2006.
|
رديف |
تاريخ هجري شمسي تاريخ ميلادي |
عنوان همايش علمي |
محل برگزاري |
عنوان مقاله |
اسامي همكاران |
|||
|
كشور |
شهر |
|||||||
|
1 |
روز |
ماه |
سال |
International Congress on Nanoscience and Nanotechnology ICNN 2010 |
ايران |
شيراز |
Molecular Dynamics Simulation of Li2C2 Nanocrystals |
H. Sabzyan H. Nematollahi |
|
20-18 |
8 |
1389 |
||||||
|
9-11 |
11 |
2010 |
||||||
|
2 |
روز |
ماه |
سال |
International Congress on Nanoscience and Nanotechnology ICNN 2010 |
ايران |
شيراز |
Carbon Nanotorus Maker |
H. Sabzyan S. Gholami |
|
20-18 |
8 |
1389 |
||||||
|
9-11 |
11 |
2010 |
||||||
|
3 |
روز |
ماه |
سال |
International Congress on Nanoscience and Nanotechnology ICNN 2010 |
ايران |
شيراز |
Peltier Coefficient in Molecular Nanoelectronic Systems |
H. Sabzyan R. Safari |
|
20-18 |
8 |
1389 |
||||||
|
9-11 |
11 |
2010 |
||||||
|
4 |
روز |
ماه |
سال |
كنفرانس فيزيك ايران 1389 |
ايران |
همدان |
يك شاخص خروج از تقارن براي توزيع چگالي الكتروني |
حسن سبزيان نرگس صادقپور |
|
20-23 |
6 |
1389 |
||||||
|
11-14 |
9 |
2010 |
||||||
|
5 |
روز |
ماه |
سال |
سيزدهمين سمينار شيميفيزيك ايران 1389 |
ايران |
شيراز |
Efffect of floating basis set on the electronic properties of adamantanes |
H. Sabzyan B. Saed |
|
26-23 |
1 |
1389 |
||||||
|
12-15 |
4 |
2010 |
||||||
|
6 |
روز |
ماه |
سال |
سيزدهمين سمينار شيميفيزيك ايران 1389 |
ايران |
شيراز |
A computational study of molecular transport through carbon nanotubes |
Z. Tavangar H. Sabzyan |
|
26-23 |
1 |
1389 |
||||||
|
12-15 |
4 |
2010 |
||||||
|
7 |
روز |
ماه |
سال |
كنفرانس فيزيك ايران 1388 |
ايران |
صنعتي اصفهان |
مطالعه اثر ميدان الكتريكي بر خواص دو قطعه نانوالكترونيك مولكولي پيشنهادي |
حسن سبزيان رضا صفري |
|
27-24 |
5 |
1388 |
||||||
|
15-18 |
8 |
2009 |
||||||
|
8 |
روز |
ماه |
سال |
نهمين كنفرانس ماده چگال 1387 |
ايران |
اهواز |
مطالعه ويژگيهاي نانوذرات CdSe و وابستگي آنها به اندازه |
هدي ايروانيزاده مسعود كاوش حسن سبزيان |
|
16-15 |
11 |
1387 |
||||||
|
4-5 |
2 |
2009 |
||||||
|
9 |
روز |
ماه |
سال |
كنفرانس فيزيك ايران 1387 |
ايران |
كاشان |
مطالعه نظري و محاسباتي نقاط كوانتومي مولكولي با هسته بنزني پرشاخه ( شششاخهاي ) |
حسن سبزيان ريحانه اشرفي |
|
7-3 |
6 |
1387 |
||||||
|
24-28 |
8 |
2008 |
||||||
|
رديف |
تاريخ هجري شمسي تاريخ ميلادي |
عنوان همايش علمي معتبر |
محل برگزاري |
عنوان مقاله |
اسامي همكاران |
|||
|
كشور |
شهر |
|||||||
|
10 |
روز |
ماه |
سال |
يازدهمين سمينار شيميفيزيك ايران 1387 |
ايران |
اردبيل |
Electron dynamics of H2+ in sub-cycle intense laser pulses |
M. Vafaee H. Sabzyan |
|
3-31 |
5-4 |
1387 |
||||||
|
21-24 |
7 |
2008 |
||||||
|
11 |
روز |
ماه |
سال |
يازدهمين سمينار شيميفيزيك ايران 1387 |
ايران |
اردبيل |
Design and quantum computational characterization of molecular quantum dots ( دوشاخهاي با مجموعه پايه 6-311++G** ) |
Z. Nourisafa H. Sabzyan |
|
3-31 |
5-4 |
1387 |
||||||
|
21-24 |
7 |
2008 |
||||||
|
12 |
روز |
ماه |
سال |
The first Conference and Workshop on Mathematical Chemistry 1386 |
ايران |
تهران تربيت مدرس |
Computational characterization of a family of potential moleculr quantum dots ( سهشاخهاي با مجموعه پايه 6-31G ) |
Z. Nourisafa H. Sabzyan |
|
11-9 |
11 |
1386 |
||||||
|
29-31 |
1 |
2008 |
||||||
|
13 |
روز |
ماه |
سال |
The first Conference and Workshop on Mathematical Chemistry 1386 |
ايران |
تهران تربيت مدرس |
Computing distance matrix and Wiener index of a capped nanotube |
H. Hamedanian Z. Tavangar A. R. Ashrafi H. Sabzyan |
|
11-9 |
11 |
1386 |
||||||
|
29-31 |
1 |
2008 |
||||||
|
14 |
روز |
ماه |
سال |
The first Conference and Workshop on Mathematical Chemistry 1386 |
ايران |
تهران تربيت مدرس |
Computational study of the formation of benzyne |
S. Hosseini H. Sabzyan |
|
11-9 |
11 |
1386 |
||||||
|
29-31 |
1 |
2008 |
||||||
|
15 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
Rising time effects of ultrashort intense laser field on the enhanced ionization rate of H2+ |
H. Sabzyan M. Vafaee |
|
6-3 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
16 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
Conformational optical activity in nitrobenzene derivatives |
F. Taghavi H. Sabzyan |
|
6-3 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
17 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
NMR lineshapes arising from isolated torsional motion in a complex molecule |
B. Bouzary H. Sabzyan |
|
6-3 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
18 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
Design and theoretical study of a multi-pole molecular switch ( مولكولي متفاوت با (8-16) و (8-17) ) |
D. Farmanzadeh H. Sabzyan |
|
6-3 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
19 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
Simulation of the He-Ar gas mixture flow inside different model 2-D CNT ( مخلوط گازها در نانولوله (19،19) ) |
Z. Tavangar H. Sabzyan |
|
6-3 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
رديف |
تاريخ هجري شمسي تاريخ ميلادي |
عنوان همايش علمي معتبر |
محل برگزاري |
عنوان مقاله |
اسامي همكاران |
|||||
|
كشور |
شهر |
|||||||||
|
20 |
روز |
ماه |
سال |
نهمين سمينار شيميفيزيك ايران 1385 |
ايران |
رشت |
Correlation between optical activity and topology of electron density for small molecules containing two chiral centers |
H. Sabzyan F. Taghavi |
||
|
25-23 |
3 |
1385 |
||||||||
|
13-15 |
6 |
2006 |
||||||||
|
21 |
روز |
ماه |
سال |
هشتمين سمينار شيميفيزيك ايران 1384 |
ايران |
مشهد |
Conformational effects on optical rotation (C6H5-CCl3 , HOOF, HFN-NFH) |
H. Sabzyan F. Taghavi |
||
|
1-3 |
9 |
1384 |
||||||||
|
21-24 |
11 |
2005 |
||||||||
|
22 |
روز |
ماه |
سال |
كنفرانس فيزيك ايران 1384 |
ايران |
خرمآباد |
مطالعه نظري و محاسباتي فعاليت نوري مولكولهاي كوچك داراي يك مركز فعال نوري |
حسن سبزيان فريبا تقوي |
||
|
10-7 |
6 |
1384 |
||||||||
|
29-31 |
8 |
2005 |
||||||||
|
23 |
روز |
ماه |
سال |
هفتمين سمينار شيميفيزيك ايران 1383 |
ايران |
صنعتي اصفهان |
Structure and electrical conductivity of 1-D and 2-D sodium lattices |
F. Mohammadi H. Sabzyan |
||
|
20-18 |
12 |
1383 |
||||||||
|
9-11 |
3 |
2005 |
||||||||
|
24 |
روز |
ماه |
سال |
پانزدهمين سمينار شيمي آلي ايران 1387 |
ايران |
كرمانشاه |
Substituent effects on the properties of ortho-benzyne |
S. Hosseini H. Sabzyan |
||
|
8-6 |
6 |
1387 |
||||||||
|
28-30 |
8 |
2008 |
||||||||
|
25 |
روز |
ماه |
سال |
MOLMAT (Molecular Materials) 1387 |
فرانسه |
تولوز |
Computational characterization of a family of potential molecular quantum dots ( سهشاخهاي با مجموعه پايه 6-311++G** ) |
Z. Nourisafa H. Sabzyan |
||
|
20-17 |
4 |
1387 |
||||||||
|
8-11 |
7 |
2008 |
||||||||
|
26 |
روز |
ماه |
سال |
41st IUPAC World Chemistry Congress 1386 |
ايتاليا |
تورينو |
Simulation of the He-Ar gas mixture flow in model 2-D CNTs with different (n,m) ( مخلوط گازها در نانولولههاي (25،25) و (30،0) ) |
Z. Tavangar H. Sabzyan |
||
|
31-25 |
5 |
1386 |
||||||||
|
5-11 |
8 |
2007 |
||||||||
|
27 |
روز |
ماه |
سال |
كنفرانس سالانه اپتيك و فوتونيك ايران 1384 |
ايران |
شيراز |
ليزرهاي تپي فروكوتاه و كاربردهاي آنها ( سخنراني عمومي مدعو ) ارائهشده توسط اينجانب |
حسن سبزيان محسن وفايي |
||
|
13-11 |
11 |
1384 |
||||||||
|
31-2 |
1-2 |
2006 |
||||||||
|
28 |
روز |
ماه |
سال |
International Congress on Nanoscience and Nanotechnology ICNN 2006 |
ايران |
تهران |
Simulation of gas flow inside different
CNT in 2-D models |
Z. Tavangar H. Sabzyan |
||
|
29-27 |
9 |
1385 |
||||||||
|
18-20 |
12 |
2006 |
||||||||
|
29 |
روز |
ماه |
سال |
چهاردهمين سمينار شيمي تجزيه ايران 1384 |
ايران |
بيرجند |
Ab initio study of Aflatoxins B and G and their cations, anions and radicals: Predicting structural, spectroscopic, activity, and chemical properties |
N. Alizadeh M. Aghamohammadi H. Sabzyan |
||
|
9 - 7 |
6 |
1384 |
||||||||
|
29-31 |
8 |
2005 |
||||||||
|
رديف |
تاريخ هجري شمسي تاريخ ميلادي |
عنوان همايش علمي معتبر |
محل برگزاري |
عنوان مقاله |
اسامي همكاران |
|||
|
كشور |
شهر |
|||||||
|
30 |
روز |
ماه |
سال |
هفتمين سمينار شيميفيزيك ايران 1383 |
ايران |
صنعتي اصفهان |
Intramolecular oxygen exchange in some heterocyclic compounds |
M. Mokhtari H. Sabzyan M. R. Noorbala |
|
20-18 |
12 |
1383 |
||||||
|
9-11 |
3 |
2005 |
||||||
|
31 |
روز |
ماه |
سال |
هفتمين سمينار شيميفيزيك ايران 1383 |
ايران |
صنعتي اصفهان |
Ionic strength effect on the NMR spectrum of simple organic solutes |
R. Amiri H. Sabzyan M. Tafazzoli |
|
20-18 |
12 |
1383 |
||||||
|
9-11 |
3 |
2005 |
||||||
|
32 |
روز |
ماه |
سال |
هفتمين سمينار شيميفيزيك ايران 1383 |
ايران |
صنعتي اصفهان |
Calculation of the ionization rate of H2+ in intense laser fields |
M. Vafaee H. Sabzyan |
|
20-18 |
12 |
1383 |
||||||
|
9-11 |
3 |
2005 |
||||||
|
33 |
روز |
ماه |
سال |
هفتمين سمينار شيميفيزيك ايران 1383 |
ايران |
صنعتي اصفهان |
Effect of vibrational motion on the magnetic shielding |
B. Buzari H. Sabzyan |
|
20-18 |
12 |
1383 |
||||||
|
9-11 |
3 |
2005 |
||||||
|
34 |
روز |
ماه |
سال |
هشتمين سمينار شيميفيزيك ايران 1384 |
ايران |
مشهد |
Ionization of a 1-D model of H2+ in different states in intense laser fields |
H. Sabzyan H. Ebadi |
|
1-3 |
9 |
1384 |
||||||
|
21-24 |
11 |
2005 |
||||||
|
35 |
روز |
ماه |
سال |
هشتمين سمينار شيميفيزيك ايران 1384 |
ايران |
مشهد |
Theoretical characterization of a candidate molecular switch |
H. Sabzyan D. Farmanzadeh |
|
1-3 |
9 |
1384 |
||||||
|
21-24 |
11 |
2005 |
||||||
|
36 |
روز |
ماه |
سال |
هشتمين سمينار شيميفيزيك ايران 1384 |
ايران |
مشهد |
Ionization rate of H2+ In the laser fields above coulomb explosion |
H. Sabzyan M. Vafaee |
|
1-3 |
9 |
1384 |
||||||
|
21-24 |
11 |
2005 |
||||||
|
37 |
روز |
ماه |
سال |
كنفرانس سالانه اپتيك و فوتونيك ايران 1384 |
ايران |
شيراز |
سرعت يونش لحظهاي H2+ در ميدان شديد ليزر |
محسن وفايي، حسن سبزيان، زهرا وفايي، علي كتانفروش |
|
13-11 |
11 |
1384 |
||||||
|
31-2 |
1-2 |
2006 |
||||||
|
38 |
روز |
ماه |
سال |
International Congress on Nanoscience and Nanotechnology ICNN 2006 |
ايران |
تهران |
Electric field effects on the performance of a candidate multipole molecular switch: A quantum computational study |
H. Sabzyan D. Farmanzadeh |
|
29-27 |
9 |
1385 |
||||||
|
18-20 |
12 |
2006 |
||||||
|
39 |
روز |
ماه |
سال |
دهمين سمينار شيميفيزيك ايران 1386 |
ايران |
اصفهان |
A semiempirical study of perfluoroporphyrin complexes with 3d metal ions |
M. Hamedanian H. Sabzyan |
|
3-6 |
2 |
1386 |
||||||
|
23-26 |
4 |
2007 |
||||||
|
رديف |
تاريخ هجري شمسي تاريخ ميلادي |
عنوان همايش علمي معتبر |
محل برگزاري |
عنوان مقاله |
اسامي همكاران |
|||
|
كشور |
شهر |
|||||||
|
40 |
روز |
ماه |
سال |
The Second Technical Conference of Thermodynamics 1388 |
ايران |
تهران - علم و صنعت |
Molecular simulation of vapor-liquid equilibrium of binary aqueous mixtures of methanol, ethanol, and 1-propanol |
M. Hajipour S. F. Aghamiri H. Sabzyan F. Seyedeyn-Azad |
|
22 |
2 |
1388 |
||||||
|
11 |
5 |
2009 |
||||||
|
41 |
روز |
ماه |
سال |
The Second Technical Conference of Thermodynamics 1388 |
ايران |
تهران - علم و صنعت |
Simulation of vapor-liquid equilibrium of binary aqueous mixtures of methanol, ethanol, and 1-propanol |
M. Hajipour S. F. Aghamiri H. Sabzyan F. Seyedeyn-Azad |
|
22 |
2 |
1388 |
||||||
|
11 |
5 |
2009 |
||||||
… not completed …
The End