2024 : 4 : 24
فارسی
Saeid Yeganegi
Academic rank:
Professor
ORCID:
0000-0003-0603-479X
Education:
PhD.
ScopusId:
9274963900
Faculty:
Faculty of Chemistry
Address:
Dept. of Physical Chemistry, Faculty of Chemistry, University of Mazandaran
Phone:
011-3530-2380
E-mail:
yeganegi [at] umz.ac.ir
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Education
BSc. in Pure chemistry , Shiraz University , Iran
(1987 - 1991)
Thesis title:
PhD. in Physical Chemistry , University of Tehran , Iran
(1994 - 2000)
Thesis title: Molecular Dynamic Simulation of Diffusion and Thermodiffusion processes and Study of the effect of Intermolecular Potential
MSc. in Physical Chemistry , University of Maznadaran , Iran
(1991 - 1994)
Thesis title: The Effect of Geometry of System on Diffusion and Diffusion Thermoeffect Processes in the Presence of Other Perturbation Effects
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Courses
Master Of Science
Advanced physical chemistry
Statistical Thermodynamics I
PHD
Simulation and Modeling
Computational Chemistry
Statistical Thermodynamics II
Research activities
Journal Papers
The diffusion of light gases through polyvinyl butyral: Molecular hydrogen, helium, and neon
Mohammad Shadman, Saeid Yeganegi, Chérif Matta, Khashayar Ghandi, Farhood Ziaie (2022)
Molecular simulations of the adsorption and separation of hydrogen sulfide, carbon dioxide, methane, and nitrogen and their binary mixtures (H2S/CH4), (CO2/CH4) on NUM-3a metal-organic frameworks
Azita Amouzad Khalili, Saeid Yeganegi (2021)
Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF
Azita Amouzad Khalili, Saeid Yeganegi (2020)
Adsorption of 5-Fluorouracil and Thioguanine drugs into ZIF-1, ZIF-3 and ZIF-6 by simulation methods
Maryam Gomar, Saeid Yeganegi (2019)
Computational study of halogen-free Boron based dicationic ionic liquids of [bis-Mim][BMB]2 and [bis-Mim][BScB]2
Seyed Morteza Alavi, Saeid Yeganegi (2019)
H2S separation from biogas by adsorption on functionalized MIL-47-X(X =−OH and−OCH3): A simulation study
Vahid Sokhanvaran, Maryam Gomar, Saeid Yeganegi (2019)
DFT study of structures and hydrogen bonds of imidazolium based halogen-free boron containing dicationic ionic liquids
Seyed Morteza Alavi, Saeid Yeganegi (2018)
Molecular simulations of adsorption and separation of ethylene/ethane and propylene/propane mixtures on Ni2 (dobdc) and Ni2 (m-dobdc) metal-organic frameworks
Mohammad Gholami, Saeid Yeganegi (2017)
MD study of structure and dynamic properties of the 1-n-alkyl-3-methylimidazolium tris(perfluoroalkyl)trifl uorophosphate ionic liquids
Kazem Gholizadeh, Saeid Yeganegi, Abbasali Rostami (2017)
Molecular Dynamics Simulations of Amide Functionalized Imidazolium Bis (trifluoromethanesulfonyl) imide Dicationic Ionic Liquids
Hassan Khakan, Saeid Yeganegi (2017)
Adsorption of 5-fluorouracil, hydroxyurea and mercaptopurine drugs on zeolitic imidazolate frameworks (ZIF-7, ZIF-8 and ZIF-9)
Maryam Gomar, Saeid Yeganegi (2017)
Molecular dynamic simulation study of molten cesium
Saeid Yeganegi, Vahid Moeini, Zohreh Doroodi (2017)
Adsorption of propylene, propane, ethylene and ethane in an isoreticular series of MOF-74 structures
Mohammad Gholami, Saeid Yeganegi (2017)
Molecular simulations of adsorption and separation of acetylene and methane and their binary mixture on MOF-5, HKUST-1 and MOF-505 metal–organic frameworks
Saeid Yeganegi, Mohammad Gholami, Vahid Sokhanvaran (2016)
Multiscale Computational Study on the Adsorption and Separation of CO2/CH4 and CO2/H2 on Li+-Doped Mixed-Ligand MOF Zn2(NDC)2(diPyNI)
Vahid Sokhanvaran, Saeid Yeganegi (2016)
Simulation of methane adsorption and diffusion in a carbon nanotube channel
Saeid Yeganegi, Fatemeh Gholampour (2016)
Adsorption of hydrogen and methane on intrinsic and alkali metal cations-doped Zn2 (NDC) 2 (diPyTz) metal–organic framework using GCMC simulations
Saeid Yeganegi, Vahid Sokhanvaran (2016)
Hydrogen physisorption and selectivity in single-walled silicon carbon nanotubes: a grand canonical Monte-Carlo study
Mohammad Shadman, Saeid Yeganegi, Mahshid Rahimi Galugahi (2016)
A Differential Scanning Calorimetry and Theoretical Study on the Isomerization of trans-[Co(cyclam)(ONO)2]X (X = PF6–, ClO4–)
Abbas Eslami, Nahid Hasani, Saeid Yeganegi (2014)
A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1,3-dipolar cycloaddition reaction of 2-(vinyloxy)benzaldehyde derivatives
Mahshid Hamzehloueian, Saeid Yeganegi, Yaghoub Sarrafi, Kamal Alimohammadi, Marzieh Sadatshahabi (2014)
DFT Study of the Geometrical and Electronic Structures of Geminal Dicationic Ionic Liquids 1,3-Bis[3-methylimidazolium-1-yl]hexane Halides
Davood Farmanzadeh, Azim Soltanabadi, Saeid Yeganegi (2013)
Molecular Dynamic Simulation of Dicationic Ionic Liquids: Effects of Anions and Alkyl Chain Length on Liquid Structure and Diffusion
Saeid Yeganegi, Azim Soltanabadi, Davood Farmanzadeh (2012)
Conference Papers
ADSORPTION OF DRUG IN METAL ORGANIC FRAMEWORKS: GRAND CANONICAL MONTE CARLO (GCMC) SIMULATIONS
Maryam Gomar, Saeid Yeganegi (2016)
ADSORPTION OF ETHANE AND ETHYLENE IN AN ISORETICULAR SERIES OF MOF-74 STRUCTURES
Mohammad Gholami, Saeid Yeganegi (2016)
CARBON DIOXIDE ADSORPTION ON [HKUST-1] METAL-ORGANIC RAMEWORK DOPED WITH LITHIUM CATION USING MOLECULAR SIMULATION
Saeid Yeganegi, Nastaran Kouhestan Najafi (2016)
EFFECT OF DIFFERENT METHANOL CONCENTRATIONS ON dsDNA STRUCTURE: AN MOLECULAR DYNAMICS SIMULATION STUDY
Maryam Gomar, Saeid Yeganegi (2016)
GCMC SIMULATIONS OF CO2, CH4 AND H2 ADSORPTION ON ZIF-8
Vahid Sokhanvaran, Saeid Yeganegi (2016)
Research interests
Simulation of Adsorption and Diffusion of Molecules in Metal-Organic Compounds
Monte Carlo simulation of Molecules adsorption in Nano Porouse Materials
Molecular Dynamic Simulation of Fluids
Computational Chemistry
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Executive activities
Director of Information Technology of University
(1393 - 1401)
Head of Department of Physical Chemistry
(1386 - 1388)
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Scientific Societies Membership
Iranian Chemical Society
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