DELEUZE, Michael

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DELEUZE, Michael
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michael.deleuze@uhasselt.be
 
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Publications

Results 31-60 of 127 (Search time: 0.028 seconds).

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Issue DateTitleContributor(s)TypeCat.
312014Theoretical Chemistry in Belgium - A Topical Collection from Theoretical Chemistry AccountsChampagne, Benoît; DELEUZE, Michael; De Proft, Frank; Leyssens, TomBookB1
322014Quantum 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
332013Electron Momentum Spectroscopy of 1‑Butene: A Theoretical Analysis Using Molecular Dynamics and Molecular Quantum SimilaritySHOJAEI KOHNEHSHAHRI, Reza; Vandenbussche, Jelle; DELEUZE, Michael; Bultinck, PatrickJournal ContributionA1
342013Photoelectron and Electron Momentum Spectroscopy of Tetrahydrofuran from a Molecular Dynamical PerspectiveSHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, MichaelJournal ContributionA1
352013Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran (vol 417, pg 17, 2013)SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, MichaelJournal ContributionM
362013Erratum to ‘‘Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran’’ [Chem. Phys. 417 (2013) 17–25]SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, MichaelJournal ContributionA1
372013Benchmark theoretical study of the electric polarizabilities of naphthalene, anthracene and tetraceneHUZAK, Matija; DELEUZE, MichaelJournal ContributionA1
382013Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies... or a hype for materials scientists?DELEUZE, Michael; HUZAK, Matija; HAJGATO, BalazsJournal ContributionA1
392013Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuranSHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, MichaelJournal ContributionA1
402013Theoretical chemistry in BelgiumChampagne, Benoit; DELEUZE, Michael; De Proft, Frank; Leyssens, TomJournal ContributionA2
112012Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamicsHAJGATO, Balazs; MORINI, Filippo; DELEUZE, MichaelJournal ContributionA1
122012Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlationHAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
132012Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and peryleneHUZAK, Matija; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
142012Photoelectron and electron momentum spectroscopy of 1–butene at benchmark theoretical levelsReza Shojaei, S. H.; MORINI, Filippo; Hajgató, B.; DELEUZE, MichaelConference MaterialC2
152011Many-body calculations of molecular electric polarizabilities in asymptotically complete basis setsMonten, Ruben; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
162011Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?HUZAK, Matija; DELEUZE, Michael; HAJGATO, BalazsJournal ContributionA1
172011Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anionsHAJGATO, Balazs; De Proft, Frank; Szieberth, Denes; Tozer, David J.; DELEUZE, Michael; Geerlingsa, Paul; Nyulaszi, LaszloJournal ContributionA1
182011Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger AcenesHAJGATO, Balazs; HUZAK, Matija; DELEUZE, MichaelJournal ContributionA1
192011Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levelsSHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
202010Probing electron correlation and nuclear dynamics in Momentum SpaceDELEUZE, Michael; HAJGATO, Balazs; MORINI, Filippo; KNIPPENBERG, StefanJournal ContributionA1
212010Correlation effects in the valence ionization spectra of large conjugated molecules: p-Benzoquinone, anthracenequinone and pentacenequinoneDELEUZE, Michael; KNIPPENBERG, StefanJournal ContributionA1
222010Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) LevelMORINI, Filippo; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
232010Quantum Chemical Study of Conformational Fingerprints in the Photoelectron Spectra and (e, 2e) Electron Momentum Distributions of n-HexaneMORINI, Filippo; KNIPPENBERG, Stefan; DELEUZE, Michael; HAJGATO, BalazsJournal ContributionA1
242010Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) levelSHOJAEI KOHNEHSHAHRI, Reza; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
252010Imaging orbital distortions induced by conformational rearrangements and bond breakings in momentum spaceDELEUZE, Michael; Hajgató, B.; MORINI, FilippoConference MaterialC2
262010Photoelectron spectra and (e, 2 e) electron momentum distributions of n–hexane: Thermostatistical calculations and conformational fingerprintsMORINI, Filippo; KNIPPENBERG, Stefan; DELEUZE, Michael; Hajgató, B.Conference MaterialC2
272010Electron momentum spectroscopy of large n–alkane chains: tracking fingerprints for methylenic hyperconjugationDELEUZE, Michael; MORINI, Filippo; KNIPPENBERG, Stefan; Hajgató, B.Conference MaterialC2
282009Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: EthanolDELEUZE, Michael; HAJGATO, Balazs; MORINI, FilippoJournal ContributionA2
292009Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on EthanolHAJGATO, Balazs; DELEUZE, Michael; MORINI, FilippoJournal ContributionA1
302009A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesHAJGATO, Balazs; Szieberth, D.; Geerlings, P.; De Proft, F.; DELEUZE, MichaelJournal ContributionA1
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