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Researcher
Abolfazl SHIROUDI
- Keywords:Chemistry (incl. biochemistry)
- Disciplines:Analytical chemistry, Inorganic chemistry, Macromolecular and materials chemistry, Organic chemistry, Physical chemistry, Sustainable chemistry, Theoretical and computational chemistry
Affiliations
- Chemistry (Department)
Member
From16 Nov 2012 → 31 Aug 2018 - Center of Molecular and Materials Modelling (Research group)
Member
From16 Nov 2012 → 31 Aug 2018 - Faculty of Sciences (Faculty)
Member
From16 Nov 2012 → 31 Aug 2018
Publications
1 - 10 of 18
- Kinetic and mechanistic insight into the formation of amphetamine using the Leuckart–Wallach reaction and interaction of the drug with GpC·CpG base-pair step of DNA: a DFT study(2018)
Authors: Hoda Ostovari, Ehsan Zahedi, Iraj Sarvi, Abolfazl SHIROUDI
Pages: 1045 - 1057 - Theoretical study on the elimination kinetics in the gas phase of allyl methyl compounds(2018)
Authors: Ahmad Reza Oliaey, Abolfazl SHIROUDI, Ehsan Zahedi, Michael DELEUZE
Pages: 1389 - 1400 - Theoretical study on the mechanisms and kinetics of the β-elimination of 2,2-dihaloethyltrihalosilanes (X = F, Cl, Br) compounds: a DFT study along with a natural bond orbital analysis(2018)
Authors: Ahmad Reza Oliaey, Abolfazl SHIROUDI, Ehsan Zahedi, Michael DELEUZE
Pages: 27 - 44 - Understanding the kinetics and mechanism of thermal cheletropic elimination of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide using RRKM and ELF theories(2017)
Authors: Ehsan Zahedi, Majid Mozaffari, Farzaneh Shahsavar, Abolfazl SHIROUDI, Michael DELEUZE
Pages: 1575 - 1590 - Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories(2017)
Authors: Zahedi Ehsan, Mozaffari Majid, Yousefi Leyla, Abolfazl SHIROUDI, Michael DELEUZE
Pages: 12 - 25 - Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI Analysis(2017)
Authors: Ehsan Zahedi, Samaneh Shaabani, Abolfazl SHIROUDI
Pages: 8504 - 8517 - Efficiency analysis of a solar photovoltaic array coupled with an electrolyser power unit: a case study(2017)
Authors: Abolfazl SHIROUDI, Michael DELEUZE, Seyed Ahmad Mousavifar
Pages: 240 - 249 - Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories(2017)
Authors: Abolfazl SHIROUDI, Ehsan Zahedi, Ahmad Reza Oliaey, Michael DELEUZE
Pages: 140 - 148 - Understanding the kinetics of thermal decomposition of 2,3-epoxy-2,3-dimethylbutane using RRKM theory(2016)
Authors: Abolfazl SHIROUDI, Ehsan Zahedi
Pages: 91882 - 91892 - Reaction mechanisms and kinetics of the O-2 addition pathways to the main thiophene-OH adduct: a theoretical study(2016)
Authors: Abolfazl SHIROUDI, Michael DELEUZE
Pages: 398 - 417