Researcher
Michael DELEUZE
- Keywords:Chemistry (incl. biochemistry)
- Disciplines:Analytical chemistry, Inorganic chemistry, Macromolecular and materials chemistry, Organic chemistry, Physical chemistry, Sustainable chemistry, Theoretical and computational chemistry
Affiliations
- Center of Molecular and Materials Modelling (Research group)
Responsible
From5 May 2009 → 8 Jun 2018 - Chemistry (Department)
Member
From1 Oct 2000 → 7 Jun 2018 - Faculty of Sciences (Faculty)
Member
From1 Oct 2000 → 7 Jun 2018 - Chemistry-Biology-Geology (Division)
Member
From1 Oct 2000 → 30 Sep 2009 - Center of Molecular and Materials Modelling (Research group)
Member
From1 Jan 1999 → 7 Jun 2018
Projects
1 - 10 of 10
- Beleidsreserve: conversion budgetsFrom1 Mar 2017 → 7 Jun 2018Funding: BOF - Doctoral projects
- Theoretical Study of the influence of Molecular Vibrations and Motions in Orbital-Imaging Experiments Employing Electron Momentum Spectroscopy.From1 Jan 2016 → 31 Dec 2017Funding: BOF - Doctoral projects
- Quantum chemical study of large polycyclic aromatic hydrocarbons and graphene nanoislands using Density Functional Theory with fractional orbital occupationsFrom1 Jan 2015 → 31 Dec 2018Funding: BOF - Doctoral projects
- Quantum Chemical Studies of the Combustion Pathways and Kinetics of Polycyclic Aromatic HydrocarbonsFrom1 Oct 2014 → 30 Sep 2018Funding: BOF - Doctoral projects
- Molecular Electron Momentum Spectroscopy and Orbital Imaging beyond the Plane Wave Impulse and Binary Encounter ApproximationsFrom1 Oct 2012 → 30 Sep 2015Funding: FWO fellowships
- Quantum Chemistry: fundamental and applied aspects of Density Functional TheoryFrom1 Jan 2012 → 31 Dec 2016Funding: FWO scientific research network
- Quantum Chemical Studies of the Combustion Pathways and Kinetics of Polycyclic Aromatic HydrocarbonsFrom1 Jan 2012 → 31 Dec 2015Funding: BOF - Other initiatives
- New challenges to many-body Green's function and advanced Dyson orbital theories: from orbital imaging to molecular quantum similarity in momentum space.From1 Jan 2009 → 31 Dec 2012Funding: FWO fellowships
- From orbital imaging to molecular quantum similarity in momentum spaceFrom1 Jan 2009 → 31 Dec 2012Funding: BOF - Doctoral projects
- BOF 2008: Short stay Dr. Balazs HajgatoFrom1 Oct 2008 → 31 Dec 2008Funding: BOF - Other initiatives
Publications
1 - 10 of 56
- 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 - Influence of molecular vibrations on the valence electron momentum distributions of adamantane(2017)
Authors: Filippo MORINI, Noboru Watanabe, Masataka Kojima, Michael DELEUZE, Masahiko Takahashi
- 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 - 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 - Theoretical study of the reaction mechanisms and kinetics of the oxidation processes of naphthalene and thiophene initiated by hydroxyl radicals(2016)
Authors: Abolfazl SHIROUDI, Michael DELEUZE
Number of pages: 325 - Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state(2016)
Authors: M. Farasat, S.H.R. Shojaei, Filippo MORINI, M. M. Golzan, Michael DELEUZE