SHIROUDI, Abolfazl

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SHIROUDI, Abolfazl
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abolfazl.shiroudi@uhasselt.be
 
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Publications

Results 1-20 of 23 (Search time: 0.004 seconds).

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Issue DateTitleContributor(s)TypeCat.
12022A theoretical study of potential energy surface and some chemo-physical descriptors of Aspirin, Coupling the rotation of the ester and carboxyl groupsYousefnejad, S; SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; SHIROUDI, AbolfazlJournal ContributionA1
22022Computational studies on thermo-kinetics aspects of pyrolysis of isopropyl acetate and its methyl, bromide and hydroxyl derivativesSHOJAEI KOHNEHSHAHRI, Reza; SHIROUDI, Abolfazl; Abdel-Rahman, Mohamed A.Journal ContributionA1
32018Kinetic 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 studyOstovari, Hoda; Zahedi, Ehsan; Sarvi, Iraj; SHIROUDI, AbolfazlJournal ContributionA1
42018Theoretical 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 analysisOliaey, Ahmad Reza; SHIROUDI, Abolfazl; Zahedi, Ehsan; DELEUZE, MichaelJournal ContributionA1
52018Theoretical study on the elimination kinetics in the gas phase of allyl methyl compoundsOliaey, Ahmad Reza; SHIROUDI, Abolfazl; Zahedi, Ehsan; DELEUZE, MichaelJournal ContributionA1
62017Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theoriesZahedi Ehsan; Mozaffari Majid; Yousefi Leyla; SHIROUDI, Abolfazl; DELEUZE, MichaelJournal ContributionA1
72017Efficiency analysis of a solar photovoltaic array coupled with an electrolyser power unit: a case studySHIROUDI, Abolfazl; DELEUZE, Michael; Mousavifar, Seyed AhmadJournal ContributionA2
82017Understanding 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 theoriesZahedi, Ehsan; Mozaffari, Majid; Shahsavar, Farzaneh; SHIROUDI, Abolfazl; DELEUZE, MichaelJournal ContributionA1
92017Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI AnalysisZahedi, Ehsan; Shaabani, Samaneh; SHIROUDI, AbolfazlJournal ContributionA1
102017Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theoriesSHIROUDI, Abolfazl; Zahedi, Ehsan; Oliaey, Ahmad Reza; DELEUZE, MichaelJournal ContributionA1
112016Reaction mechanisms and kinetics of the O-2 addition pathways to the main thiophene-OH adduct: a theoretical studySHIROUDI, Abolfazl; DELEUZE, MichaelJournal ContributionA1
122016Theoretical study of the reaction mechanisms and kinetics of the oxidation processes of naphthalene and thiophene initiated by hydroxyl radicalsSHIROUDI, AbolfazlTheses and DissertationsT1
132016Understanding the kinetics of thermal decomposition of 2,3-epoxy-2,3-dimethylbutane using RRKM theorySHIROUDI, Abolfazl; Zahedi, EhsanJournal ContributionA1
142016Quantum chemical and kinetic study of the oxidation mechanisms of thiophene initiated by hydroxyl radicalsSHIROUDI, Abolfazl; DELEUZE, MichaelConference MaterialC2
152016Reaction mechanisms and kinetics of the O2 addition pathways upon the main thiophene-OH adduct: A theoretical studySHIROUDI, Abolfazl; DELEUZE, MichaelConference MaterialC2
162015Reaction mechanisms and kinetics of the isomerization processes of naphthalene peroxy radicalsSHIROUDI, Abolfazl; DELEUZE, MichaelJournal ContributionA1
172015Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: the O2 Addition Reaction PathwaysSHIROUDI, Abolfazl; DELEUZE, Michael; Canneaux, SébastienJournal ContributionA1
182015Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicalsSHIROUDI, Abolfazl; DELEUZE, MichaelJournal ContributionA1
192014Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicalsSHIROUDI, Abolfazl; DELEUZE, Michael; MORINI, FilippoConference MaterialC2
202014Quantum chemical and kinetic study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals. I. The OH addition pathwaySHIROUDI, Abolfazl; DELEUZE, Michael; Canneaux, SébastienProceedings PaperC2
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