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Scopus Author ID: 9274963900

Keywords

Physical Chemistry, Theoretical Chemistry

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Iran

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Employment (1)

University of Mazandaran: Babolsar, Mazandaran, IR

1999-04-11 to present | Prof. (Physical Chemistry)
Employment
Source: Self-asserted source
Saeid Yeganegi

Education and qualifications (3)

University of Tehran: Tehran, Tehran, IR

1994-03-01 to 1999-04-01 | PHD/Physical Chemistry (Chemistry )
Education
Source: Self-asserted source
Saeid Yeganegi

University of Maznadaran: Babolsar, Mazandaran, IR

1990-03-01 to 1993-01-01 | Msc./Physical Chemistry (Chemistry)
Education
Source: Self-asserted source
Saeid Yeganegi

Shiraz University: Shiraz, Fars, IR

1986-03-01 to 1990-03-01 | Bsc (Chemistry)
Education
Source: Self-asserted source
Saeid Yeganegi

Works (50 of 56)

Items per page:
Page 1 of 2

A simulation study of microstructure and dynamics of dual-functionalised imidazolium based ionic liquids (DFILs)

Molecular Simulation
2024-11 | Journal article
DOI: 10.1080/08927022.2024.2412042
Part of ISSN: 0892-7022
Part of ISSN: 1029-0435
Contributors: Hamid Ghasemi; Saeid Yeganegi
Source: Self-asserted source
Saeid Yeganegi

Theoretical study of electron transfer reaction in the anode of Li-Air battery with Cn(mim)22(NTF2) ionic liquid electrolyte: Effect of alkyl chain length

Chemistry Researches
2022-08-01 | Journal article
Contributors: Mohamad Mehdi Moghtadaei; Saeid Yeganegi; Effat Kianpour
Source: Self-asserted source
Saeid Yeganegi

The diffusion of light gases through polyvinyl butyral: Molecular hydrogen, helium, and neon

Journal of Molecular Liquids
2022-01 | Journal article
DOI: 10.1016/j.molliq.2021.118245
Part of ISSN: 0167-7322
Contributors: Muhammad Shadman Lakmehsari; Saeid Yeganegi; Chérif F. Matta; Khashayar Ghandi; Farhood Ziaie
Source: Self-asserted source
Saeid Yeganegi

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

Journal of Molecular Modeling
2021-05 | Journal article
DOI: 10.1007/s00894-021-04709-0
Contributors: Azita Amouzad Khalili; Saeid Yeganegi
Source: check_circle
Crossref

Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF

Journal of Molecular Graphics and Modelling
2020-12 | Journal article
DOI: 10.1016/j.jmgm.2020.107731
Contributors: Azita Amouzad Khalili; Saeid Yeganegi
Source: check_circle
Crossref

H2S separation from biogas by adsorption on functionalized MIL-47-X (X = −OH and − OCH3): A simulation study

Applied Surface Science
2019-06 | Journal article
DOI: 10.1016/j.apsusc.2019.02.152
Contributors: Vahid Sokhanvaran; Maryam Gomar; Saeid Yeganegi
Source: check_circle
Crossref

Adsorption of 5-Fluorouracil and Thioguanine drugs into ZIF-1, ZIF-3 and ZIF-6 by simulation methods

Materials Science and Engineering: C
2019-04 | Journal article
DOI: 10.1016/j.msec.2018.12.068
Contributors: Maryam Gomar; Saeid Yeganegi
Source: check_circle
Crossref

Computational study of halogen-free Boron based dicationic ionic liquids of [bis-Mim][BMB]2 and [bis-Mim][BScB]2

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
2019-03 | Journal article
DOI: 10.1016/j.saa.2018.11.016
Contributors: Seyed Morteza Alavi; Saied Yeganegi
Source: check_circle
Crossref

Corrigendum to “Adsorption of 5-fluorouracil, hydroxyurea and mercaptopurine drugs on zeolitic imidazolate frameworks (ZIF-7, ZIF-8 and ZIF-9)” [Microporous Mesoporous Mater. (2017) 167–172] (S1387181117304134) (10.1016/j.micromeso.2017.06.010))

Microporous and Mesoporous Materials
2018 | Journal article
DOI: 10.1016/j.micromeso.2017.10.031
EID:

2-s2.0-85036514892
Contributors: Gomar, M.; Yeganegi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

DFT study of structures and hydrogen bonds of imidazolium based halogen-free boron containing dicationic ionic liquids

Journal of Molecular Liquids
2018-04 | Journal article
DOI: 10.1016/j.molliq.2018.02.066
Contributors: Seyed Morteza Alavi; Saied Yeganegi
Source: check_circle
Crossref

Molecular simulations of adsorption and separation of ethylene/ethane and propylene/propane mixtures on Ni2(dobdc) and Ni2(m-dobdc) metal-organic frameworks

Molecular Simulation
2018-03-24 | Journal article
DOI: 10.1080/08927022.2017.1387916
Contributors: Mohammad Gholami; Saeid Yeganegi
Source: check_circle
Crossref

Molecular dynamic simulation study of molten caesium

Journal of the Serbian Chemical Society
2017 | Journal article
DOI: 10.2298/JSC160725018Y
EID:

2-s2.0-85026777667
Contributors: Yeganegi, S.; Moeini, V.; Doroodi, Z.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Molecular dynamic simulation study of molten cesium

J. Serb. Chem. Soc.
2017 | Journal article
Source: Self-asserted source
Saeid Yeganegi

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

Molecular Simulation
2017 | Journal article
DOI: 10.1080/08927022.2016.1262036
EID:

2-s2.0-84999886503
Contributors: Yeganegi, S.; Gholami, M.; Sokhanvaran, V.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Adsorption of 5-fluorouracil, hydroxyurea and mercaptopurine drugs on zeolitic imidazolate frameworks (ZIF-7, ZIF-8 and ZIF-9)

Microporous and Mesoporous Materials
2017-11 | Journal article
DOI: 10.1016/j.micromeso.2017.06.010
Contributors: Maryam Gomar; Saeid Yeganegi
Source: check_circle
Crossref

MD study of structure and dynamic properties of the 1-n-alkyl-3-methylimidazolium tris(perfluoroalkyl)trifluorophosphate ionic liquids

Journal of Molecular Liquids
2017-10 | Journal article
DOI: 10.1016/j.molliq.2017.08.107
Contributors: Kazem Gholizadeh; Saeid Yeganegi; Abbas Ali Rostami
Source: check_circle
Crossref

Molecular Dynamics Simulations of Amide Functionalized Imidazolium Bis(trifluoromethanesulfonyl)imide Dicationic Ionic Liquids

The Journal of Physical Chemistry B
2017-08-10 | Journal article
DOI: 10.1021/acs.jpcb.7b03917
Contributors: Hassan Khakan; Saeid Yeganegi
Source: check_circle
Crossref

Adsorption of propylene, propane, ethylene and ethane in an isoreticular series of MOF-74 structures

Adsorption
2017-05 | Journal article
DOI: 10.1007/s10450-017-9862-9
Contributors: Mohammad Gholami; Saeid Yeganegi
Source: check_circle
Crossref

Adsorption of hydrogen and methane on intrinsic and alkali metal cations-doped Zn<inf>2</inf>(NDC)<inf>2</inf>(diPyTz) metal–organic framework using GCMC simulations

Adsorption
2016 | Journal article
DOI: 10.1007/s10450-016-9765-1
EID:

2-s2.0-84956853503
Contributors: Yeganegi, S.; Sokhanvaran, V.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Hydrogen physisorption and selectivity in single-walled silicon carbon nanotubes: A grand canonical Monte-Carlo study

Journal of the Iranian Chemical Society
2016 | Journal article
DOI: 10.1007/s13738-015-0728-3
EID:

2-s2.0-84952802441
Contributors: Shadman, M.; Yeganegi, S.; Galugahi, M.R.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Simulation of methane adsorption and diffusion in a carbon nanotube channel

Chemical Engineering Science
2016 | Journal article
DOI: 10.1016/j.ces.2015.10.007
EID:

2-s2.0-84945152357
Contributors: Yeganegi, S.; Gholampour, F.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Multiscale Computational Study on the Adsorption and Separation of CO2/CH4 and CO2/H2 on Li+‐Doped Mixed‐Ligand Metal–Organic Framework Zn2(NDC)2(diPyNI)

ChemPhysChem
2016-12-15 | Journal article
DOI: 10.1002/cphc.201601004
Contributors: Vahid Sokhanvaran; Saeid Yeganegi
Source: check_circle
Crossref

A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1, 3-dipolar cycloaddition of 2-vinyloxybenzaldehyde derivatives

J. Serbian Chem. Soc.
2014 | Journal article
DOI: 10.2298/JSC140121012H
Source: Self-asserted source
Saeid Yeganegi
grade
Preferred source (of 2)‎

Ab initio study of hydrogen adsorption on Zn<inf>2</inf>(NDC)<inf>2</inf>(diPyTz) metal-organic framework decorated with alkali and alkaline earth metal cations

International Journal of Hydrogen Energy
2014 | Journal article
DOI: 10.1016/j.ijhydene.2014.07.012
EID:

2-s2.0-84906312701
Contributors: Yeganegi, S.; Sokhanvaran, V.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Molecular simulation study on the adsorption and separation of acidic gases in a model nanoporous carbon

Chemical Engineering Science
2014 | Journal article
DOI: 10.1016/j.ces.2014.07.003
EID:

2-s2.0-84904889247
Contributors: Gholampour, F.; Yeganegi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

A Differential Scanning Calorimetry and Theoretical Study on the Isomerization of \textlessi\textgreatertrans\textless/i\textgreater -[Co(cyclam)(ONO) \textlesssub\textgreater2\textless/sub\textgreater ]X (X = PF \textlesssub\textgreater6\textless/sub\textgreater \textlesssup\textgreater-\textless/sup\textgreater , ClO \textlesssub\textgreater4\textless/sub\textgreater \textlesssup\textgreater-\textless/sup\textgreater )

Eur. J. Inorg. Chem.
2014-08 | Journal article
DOI: 10.1002/ejic.201402174
ISBN:

1434-1948
Source: Self-asserted source
Saeid Yeganegi

DFT study of the geometrical and electronic structures of geminal dicationic ionic liquids 1,3-bis[3-methylimidazolium-1-yl]hexane halides

Journal of the Chinese Chemical Society
2013 | Journal article
DOI: 10.1002/jccs.201200400
EID:

2-s2.0-84878289257
Contributors: Farmanzadeh, D.; Soltanabadi, A.; Yeganegi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Methane adsorption and diffusion in a model nanoporous carbon: An atomistic simulation study

Adsorption
2013 | Journal article
DOI: 10.1007/s10450-013-9512-9
EID:

2-s2.0-84884280469
Contributors: Yeganegi, S.; Gholampour, F.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Study of thermodynamic properties of imidazolium-based ionic liquids and investigation of the alkyl chain length effect by molecular dynamics simulation

Molecular Simulation
2013 | Journal article
DOI: 10.1080/08927022.2013.794273
EID:

2-s2.0-84886718708
Contributors: Yeganegi, S.; Sokhanvaran, V.; Soltanabadi, A.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Thermal diffusion factor of Stockmayer mixtures: A non-equilibrium molecular dynamic study

Chemical Physics
2013 | Journal article
DOI: 10.1016/j.chemphys.2012.12.034
EID:

2-s2.0-84875703728
Contributors: Yeganegi, S.; Kameli, P.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

First-principles vdW-DF investigation on the interaction between the oxazepam molecule and C60 fullerene

J. Mol. Model.
2013-04 | Journal article
DOI: 10.1007/s00894-013-1758-3
PMID: 23344244
ISBN:

0948-5023 (Electronic)$\backslash$r0948-5023 (Linking)
Source: Self-asserted source
Saeid Yeganegi

Experimental and theoretical approaches to [1,5]-prototropic generation of an azomethine ylide and a 1,3-dipolar cycloaddition for novel spiropyrrolidine oxindoles synthesis

Journal of Molecular Structure
2012 | Journal article
DOI: 10.1016/j.molstruc.2012.04.013
EID:

2-s2.0-84870239122
Contributors: Sarrafi, Y.; Hamzehloueian, M.; Alimohammadi, K.; Yeganegi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Molecular dynamic simulation of dicationic ionic liquids: Effects of anions and alkyl chain length on liquid structure and diffusion

Journal of Physical Chemistry B
2012 | Journal article
DOI: 10.1021/jp3059933
EID:

2-s2.0-84866622079
Contributors: Yeganegi, S.; Soltanabadi, A.; Farmanzadeh, D.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Separation of biogas components with single wall carbon nanotubes: A GCMC simulation

Acta Chimica Slovenica
2012 | Journal article
EID:

2-s2.0-84871314248
Contributors: Yeganegi, S.; Gholampour, F.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Hydrogen adsorption capacities of multi-walled boron nitride nanotubes and nanotube arrays: A grand canonical Monte Carlo study

J. Mol. Model.
2012-07 | Journal article
DOI: 10.1007/s00894-011-1316-9
PMID: 22160758
Source: Self-asserted source
Saeid Yeganegi

Ab initio intermolecular potential energy surface of CO<inf>2</inf>-C <inf>2</inf>H<inf>2</inf> complex

Acta Chimica Slovenica
2011 | Journal article
EID:

2-s2.0-79959751390
Contributors: Yeganegi, S.; Darzi, N.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

An experimental and theoretical investigation of the regio- and stereoselectivity of the polar [3+2] cycloaddition of azomethine ylides to nitrostyrenes

Tetrahedron
2011 | Journal article
DOI: 10.1016/j.tet.2010.12.034
EID:

2-s2.0-79551572017
Contributors: Alimohammadi, K.; Sarrafi, Y.; Tajbakhsh, M.; Yeganegi, S.; Hamzehloueian, M.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks

Journal of the American Chemical Society
2011 | Journal article
DOI: 10.1021/ja207606u
EID:

2-s2.0-83755171407
Contributors: Iremonger, S.S.; Liang, J.; Vaidhyanathan, R.; Martens, I.; Shimizu, G.K.H.; Daff, T.D.; Aghaji, M.Z.; Yeganegi, S.; Woo, T.K.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Ab initio interaction potential of methane and nitrogen

Chemical Physics Letters
2009 | Journal article
DOI: 10.1016/j.cplett.2008.11.045
EID:

2-s2.0-57749093876
Contributors: Shadman, M.; Yeganegi, S.; Ziaie, F.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Ab initio study of restricted rotation in N-nitroso-azirine and N-nitroso-diaziridine

Asian Journal of Chemistry
2009 | Journal article
EID:

2-s2.0-63849218239
Contributors: Kiani, F.; Yeganegi, S.; Rostami, A.A.; Sharifi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Investigation on polycarbonate nanomembrane production based on alpha particles irradiation

Nukleonika
2009 | Journal article
EID:

2-s2.0-79960851819
Contributors: Ziaie, F.; Shadman, M.; Yeganegi, S.; Mollaie, A.; Majdabadi, A.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Track PVB membrane based on irradiation with high energy protons

E-Polymers
2009 | Journal article
EID:

2-s2.0-68349133763
Contributors: Shadman, M.; Ziaie, F.; Yeganegi, S.; Niazi, B.; Ziaee, F.; Majdabadi, A.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Current-Voltage characteristics of the Azo-benzene nano-molecular wires from first principles

Iranian Journal of Organic Chemistry
2008 | Journal article
Source: Self-asserted source
Saeid Yeganegi

Theoretical study of energetics and mechanisms of cis--trans interconversion of 1, 3-diphenyltriazene

Journal of Molecular Structure: THEOCHEM
2008 | Journal article
Source: Self-asserted source
Saeid Yeganegi

Theoretical study of energetics and mechanisms of cis-trans interconversion of 1,3-diphenyltriazene

Journal of Molecular Structure: THEOCHEM
2008 | Journal article
DOI: 10.1016/j.theochem.2008.07.021
EID:

2-s2.0-52949123253
Contributors: Yeganegi, S.; Forozani, M.; Keshvari, A.A.; Tajbakhsh, M.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Thermal diffusion factor of binary mixtures of square well fluids

Journal of the Physical Society of Japan
2008 | Journal article
DOI: 10.1143/JPSJ.77.074604
EID:

2-s2.0-54349102041
Contributors: Yeganegi, S.; Khalili, A.A.; Hamzehlooian, M.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Thermal diffusion factor of model 2CLJD mixtures from non-equilibrium molecular dynamics

Chemical Physics Letters
2008 | Journal article
DOI: 10.1016/j.cplett.2007.11.094
EID:

2-s2.0-38049024146
Contributors: Yeganegi, S.; Shadman, M.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Cyclic voltammetric and computational study of a 4-bromophenyl monolayer on a glassy carbon electrode

Monatshefte für Chemie - Chem. Mon.
2008-07 | Journal article
DOI: 10.1007/s00706-007-0851-2
ISBN: 0070600708
Source: Self-asserted source
Saeid Yeganegi

Comparison of efficiency equilibrium and non-equilibrium molecular dynamics calculations of thermal diffusion factor

Journal of the Physical Society of Japan
2007 | Journal article
DOI: 10.1143/JPSJ.76.044601
EID:

2-s2.0-34247153508
Contributors: Yeganegi, S.; Anbarfam, M.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier

Structural and NBO studies of anomeric effects in polyoxa, polyaza and polycyclics compounds

Asian Journal of Chemistry
2007 | Journal article
EID:

2-s2.0-34547869163
Contributors: Hamzehlooian, M.; Yeganegi, S.
Source: Self-asserted source
Saeid Yeganegi via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (3 reviews for 3 publications/grants)

Review activity for Journal of molecular graphics & modelling. (1)
Review activity for Langmuir : (1)
Review activity for The journal of physical chemistry. (1)
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