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| | Issue Date | Title | Contributor(s) | Type | Cat. |
| 1 | 2018 | 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 | Oliaey, Ahmad Reza; SHIROUDI, Abolfazl; Zahedi, Ehsan; DELEUZE, Michael | Journal Contribution | A1 |
| 2 | 2018 | Theoretical study on the elimination kinetics in the gas phase of allyl methyl compounds | Oliaey, Ahmad Reza; SHIROUDI, Abolfazl; Zahedi, Ehsan; DELEUZE, Michael | Journal Contribution | A1 |
| 3 | 2017 | Efficiency analysis of a solar photovoltaic array coupled with an electrolyser power unit: a case study | SHIROUDI, Abolfazl; DELEUZE, Michael; Mousavifar, Seyed Ahmad | Journal Contribution | A2 |
| 4 | 2017 | 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 | Zahedi, Ehsan; Mozaffari, Majid; Shahsavar, Farzaneh; SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 5 | 2017 | Influence of molecular vibrations on the valence electron momentum distributions of adamantane | MORINI, Filippo; Watanabe, Noboru; Kojima, Masataka; DELEUZE, Michael; Takahashi, Masahiko | Journal Contribution | A1 |
| 6 | 2017 | Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories | Zahedi Ehsan; Mozaffari Majid; Yousefi Leyla; SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 7 | 2017 | Reaction mechanisms and kinetics of the elimination processes of 2-chloroethylsilane and derivatives: A DFT study using CTST, RRKM, and BET theories | SHIROUDI, Abolfazl; Zahedi, Ehsan; Oliaey, Ahmad Reza; DELEUZE, Michael | Journal Contribution | A1 |
| 168 | 2016 | Reaction mechanisms and kinetics of the O-2 addition pathways to the main thiophene-OH adduct: a theoretical study | SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 169 | 2016 | Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state | Farasat, M.; Shojaei, S.H.R.; MORINI, Filippo; Golzan, M. M.; DELEUZE, Michael | Journal Contribution | A1 |
| 170 | 2016 | Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state | Farasat, M.; SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, Michael | Conference Material | C2 |
| 171 | 2016 | Reaction mechanisms and kinetics of the O2 addition pathways upon the main thiophene-OH adduct: A theoretical study | SHIROUDI, Abolfazl; DELEUZE, Michael | Conference Material | C2 |
| 172 | 2016 | Quantum chemical and kinetic study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals | SHIROUDI, Abolfazl; DELEUZE, Michael | Conference Material | C2 |
| 173 | 2015 | Reaction mechanisms and kinetics of the isomerization processes of naphthalene peroxy radicals | SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 174 | 2015 | Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals | SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 175 | 2015 | Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: the O2 Addition Reaction Pathways | SHIROUDI, Abolfazl; DELEUZE, Michael; Canneaux, Sébastien | Journal Contribution | A1 |
| 176 | 2015 | Electron Momentum Spectroscopy of Dimethyl Ether Taking Account of Nuclear Dynamics in the Electronic Ground State | MORINI, Filippo; Watanabe, N.; Kojima, M.; DELEUZE, Michael; Takahashi, M. | Journal Contribution | A1 |
| 177 | 2015 | Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach | MORINI, Filippo; DELEUZE, Michael; Noboru, Watanabe; Masahiko, Takahashi | Journal Contribution | A1 |
| 178 | 2015 | Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e, 2e) electron momentum distributions of furan | MORINI, Filippo; DELEUZE, Michael; Watanabe, N.; Takahashi, M. | Conference Material | C2 |
| 179 | 2015 | The role of molecular vibrations in the (e, 2e) electron momentum profiles of furan: New insights from analytical and molecular dynamics approaches | MORINI, Filippo; DELEUZE, Michael; Watanabe, N.; Takahashi, M. | Conference Material | C2 |
| 180 | 2015 | Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan | MORINI, Filippo; DELEUZE, Michael; Watanabe, N.; Takahashi, M. | Proceedings Paper | C1 |
| 181 | 2014 | Momentum space analysis of the electronic structure of biphenyl | MORINI, Filippo; SHOJAEI KOHNEHSHAHRI, Reza; DELEUZE, Michael | Journal Contribution | A1 |
| 182 | 2014 | Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The OH-Addition Pathway | SHIROUDI, Abolfazl; DELEUZE, Michael; Canneaux, Sébastien | Journal Contribution | A1 |
| 183 | 2014 | Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway | SHIROUDI, Abolfazl; DELEUZE, Michael | Journal Contribution | A1 |
| 184 | 2014 | Comparison of Geant4-DNA simulation of S-values with other Monte Carlo codes | André, Thierry; MORINI, Filippo; Karamitros, M.; Delorme, R.; Le Loirec, C.; Campos, L.; Champion, C.; Groetz, J.-E.; Fromm, M.; Bordage, M.-C.; Perrot, Y.; Barberet, Ph.; Bernal, M.A.; Brown, J.M.C.; DELEUZE, Michael; Francis, Z.; Ivanchenko, V.; Mascialino, B.; Zacharatou, C.; Bardiès, M.; Incerti, S. | Journal Contribution | A1 |
| 185 | 2014 | Flemish supercomputer center and computational chemistry at Hasselt University | MORINI, Filippo; DELEUZE, Michael | Conference Material | C2 |
| 186 | 2014 | Exploring the electronic structure of biphenyl in momentum space | MORINI, Filippo; Reza Shojaei, S.H.; DELEUZE, Michael | Conference Material | C2 |
| 187 | 2014 | Reinvestigation of the metal carbonyls electron momentum spectroscopy: The role of nuclear dynamics | MORINI, Filippo; Hajgató, B.; DELEUZE, Michael | Conference Material | C2 |
| 28 | 2014 | Green’s function study of the valence photoionization spectra of fluorene, carbazole and dibenzofuran | MORINI, Filippo; Reza Shojaei, S.H.; DELEUZE, Michael | Conference Material | C2 |
| 29 | 2014 | Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals | SHIROUDI, Abolfazl; DELEUZE, Michael; MORINI, Filippo | Conference Material | C2 |
| 30 | 2014 | Quantum chemical and kinetic study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals. II. The H abstraction pathway | SHIROUDI, Abolfazl; DELEUZE, Michael | Proceedings Paper | C2 |
| 31 | 2014 | Theoretical Chemistry in Belgium - A Topical Collection from Theoretical Chemistry Accounts | Champagne, Benoît; DELEUZE, Michael; De Proft, Frank; Leyssens, Tom | Book | B1 |
| 32 | 2014 | Quantum chemical and kinetic study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals. I. The OH addition pathway | SHIROUDI, Abolfazl; DELEUZE, Michael; Canneaux, Sébastien | Proceedings Paper | C2 |
| 33 | 2013 | Electron Momentum Spectroscopy of 1‑Butene: A Theoretical Analysis Using Molecular Dynamics and Molecular Quantum Similarity | SHOJAEI KOHNEHSHAHRI, Reza; Vandenbussche, Jelle; DELEUZE, Michael; Bultinck, Patrick | Journal Contribution | A1 |
| 34 | 2013 | Photoelectron and Electron Momentum Spectroscopy of Tetrahydrofuran from a Molecular Dynamical Perspective | SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, Michael | Journal Contribution | A1 |
| 35 | 2013 | Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran (vol 417, pg 17, 2013) | SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, Michael | Journal Contribution | M |
| 36 | 2013 | Erratum 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, Michael | Journal Contribution | A1 |
| 37 | 2013 | Benchmark theoretical study of the electric polarizabilities of naphthalene, anthracene and tetracene | HUZAK, Matija; DELEUZE, Michael | Journal Contribution | A1 |
| 38 | 2013 | Half-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, Balazs | Journal Contribution | A1 |
| 39 | 2013 | Theoretical chemistry in Belgium | Champagne, Benoit; DELEUZE, Michael; De Proft, Frank; Leyssens, Tom | Journal Contribution | A2 |
| 40 | 2013 | Valence one-electron and shake-up ionization bands of fluorene, carbazole and dibenzofuran | SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; DELEUZE, Michael | Journal Contribution | A1 |
| 41 | 2012 | Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics | HAJGATO, Balazs; MORINI, Filippo; DELEUZE, Michael | Journal Contribution | A1 |
| 42 | 2012 | Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlation | HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 43 | 2012 | Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and perylene | HUZAK, Matija; HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 44 | 2012 | Photoelectron and electron momentum spectroscopy of 1–butene at benchmark theoretical levels | Reza Shojaei, S. H.; MORINI, Filippo; Hajgató, B.; DELEUZE, Michael | Conference Material | C2 |
| 45 | 2011 | Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets | Monten, Ruben; HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 46 | 2011 | Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise? | HUZAK, Matija; DELEUZE, Michael; HAJGATO, Balazs | Journal Contribution | A1 |
| 47 | 2011 | Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anions | HAJGATO, Balazs; De Proft, Frank; Szieberth, Denes; Tozer, David J.; DELEUZE, Michael; Geerlingsa, Paul; Nyulaszi, Laszlo | Journal Contribution | A1 |
| 48 | 2011 | Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger Acenes | HAJGATO, Balazs; HUZAK, Matija; DELEUZE, Michael | Journal Contribution | A1 |
| 49 | 2011 | Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels | SHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 50 | 2010 | Probing electron correlation and nuclear dynamics in Momentum Space | DELEUZE, Michael; HAJGATO, Balazs; MORINI, Filippo; KNIPPENBERG, Stefan | Journal Contribution | A1 |
| 51 | 2010 | Correlation effects in the valence ionization spectra of large conjugated molecules: p-Benzoquinone, anthracenequinone and pentacenequinone | DELEUZE, Michael; KNIPPENBERG, Stefan | Journal Contribution | A1 |
| 52 | 2010 | Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) Level | MORINI, Filippo; HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 53 | 2010 | Quantum Chemical Study of Conformational Fingerprints in the Photoelectron Spectra and (e, 2e) Electron Momentum Distributions of n-Hexane | MORINI, Filippo; KNIPPENBERG, Stefan; DELEUZE, Michael; HAJGATO, Balazs | Journal Contribution | A1 |
| 54 | 2010 | Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) level | SHOJAEI KOHNEHSHAHRI, Reza; HAJGATO, Balazs; DELEUZE, Michael | Journal Contribution | A1 |
| 55 | 2010 | Imaging orbital distortions induced by conformational rearrangements and bond breakings in momentum space | DELEUZE, Michael; Hajgató, B.; MORINI, Filippo | Conference Material | C2 |
| 56 | 2010 | Photoelectron spectra and (e, 2 e) electron momentum distributions of n–hexane: Thermostatistical calculations and conformational fingerprints | MORINI, Filippo; KNIPPENBERG, Stefan; DELEUZE, Michael; Hajgató, B. | Conference Material | C2 |
| 57 | 2010 | Electron momentum spectroscopy of large n–alkane chains: tracking fingerprints for methylenic hyperconjugation | DELEUZE, Michael; MORINI, Filippo; KNIPPENBERG, Stefan; Hajgató, B. | Conference Material | C2 |
| 58 | 2009 | Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: Ethanol | DELEUZE, Michael; HAJGATO, Balazs; MORINI, Filippo | Journal Contribution | A2 |
| 59 | 2009 | Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol | HAJGATO, Balazs; DELEUZE, Michael; MORINI, Filippo | Journal Contribution | A1 |
| 60 | 2009 | A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes | HAJGATO, Balazs; Szieberth, D.; Geerlings, P.; De Proft, F.; DELEUZE, Michael | Journal Contribution | A1 |
| 61 | 2009 | Evidences from electron momentum spectroscopy for ultra–fast charge transfers and structural reorganizations in a floppy molecule: Ethanol | DELEUZE, Michael; Hajgató, B.; MORINI, Filippo | Conference Material | C2 |
| 62 | 2009 | Orbital imaging of conformational rearrangements and bond breakings in momentum space | DELEUZE, Michael; Hajgató, B.; MORINI, Filippo | Conference Material | C2 |
| 63 | 2009 | A thorough theoretical analysis of electron impact (e, 2e) ionization experiments on ethanol | MORINI, Filippo; DELEUZE, Michael; Hajgató, B. | Conference Material | C2 |
| 64 | 2008 | Investigation of the molecular conformations of ethanol using electron momentum spectroscopy | Ning, C. G.; Luo, Z. H.; HUANG, Yanru; HAJGATO, Balazs; MORINI, Filippo; Liu, K.; Zhang, S.F.; Deng, J.K.; DELEUZE, Michael | Journal Contribution | A1 |
| 65 | 2008 | A benchmark theoretical study of the electron affinities of benzene and linear acenes | HAJGATO, Balazs; DELEUZE, Michael; Tozer, D.J.; De Proft, F. | Journal Contribution | A1 |
| 66 | 2008 | Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories | HUANG, Yanru; Ning, Chuan G.; Deng, Jing K.; DELEUZE, Michael | Journal Contribution | A1 |
| 67 | 2008 | Study of the valence wave function of thiophene with high resolution electron momentum spectroscopy and advanced dyson orbital theories | HUANG, Yanru; HAJGATO, Balazs; Ning, C.G.; Zhang, S.F.; Liu, K.; Luo, Z.H.; Deng, J.K.; DELEUZE, Michael | Journal Contribution | A1 |
| 68 | 2008 | Benchmark Dyson orbital study of the ionization spectrum and electron momentum distributions of ethanol in conformational equilibrium | MORINI, Filippo; HAJGATO, Balazs; DELEUZE, Michael; Ning, Chuan G; Deng, Jing K | Journal Contribution | A1 |
| 69 | 2008 | High resolution electron momentum spectroscopy of the valence orbitals of water | HAJGATO, Balazs; HUANG, Yanru; Zhang, SF; Liu, K; Luo, ZH; KNIPPENBERG, Stefan; Deng, JK; DELEUZE, Michael | Journal Contribution | A1 |
| 70 | 2008 | ADC(3) Dyson orbital investigation of the valence electronic structure of ethanol | MORINI, Filippo; DELEUZE, Michael | Conference Material | C2 |
| 71 | 2007 | May the Coulomb decay of doubly ionized states lead to a new chemistry? | DELEUZE, Michael | Journal Contribution | M |
| 72 | 2007 | Theoretical study of the fragmentation pathways of norbornane in its doubly ionized ground state | KNIPPENBERG, Stefan; HAJGATO, Balazs; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 73 | 2007 | Imaging momentum orbital densities of conformationally versatile molecules: A benchmark theoretical study of the molecular and electronic structures of dimethoxymethane | HUANG, Yanru; KNIPPENBERG, Stefan; HAJGATO, Balazs; FRANCOIS, Jean-Pierre; Deng, J. K.; DELEUZE, Michael | Journal Contribution | A1 |
| 74 | 2007 | Probing molecular conformations in momentum space: The case of n-pentane | KNIPPENBERG, Stefan; HUANG, Yanru; HAJGATO, Balazs; FRANCOIS, Jean-Pierre; Deng, J.K.; DELEUZE, Michael | Journal Contribution | A1 |
| 75 | 2006 | Probing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy | Ning, C.G.; Ren, X.G.; Deng, J.K.; Su, G.L.; Zhang, S.F.; KNIPPENBERG, Stefan; DELEUZE, Michael | Journal Contribution | A1 |
| 76 | 2006 | Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds. | KNIPPENBERG, Stefan; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 77 | 2006 | Study of the molecular structure, ionization spectrum, and electronic wave function of 1,3-butadiene using electron momentum spectroscopy and benchmark Dyson orbital theories. | DELEUZE, Michael; KNIPPENBERG, Stefan | Journal Contribution | A1 |
| 78 | 2006 | Aromaticity of giant polycyclic aromatic hydrocarbons with hollow sites: Super ring currents in super-rings. | HAJGATO, Balazs; DELEUZE, Michael; Ohno, K. | Journal Contribution | A1 |
| 79 | 2006 | Valence one-electron and shake-up lonisation bands of polycyclic aromatic hydrocarbons. IV The dibenzanthracene species. | DELEUZE, Michael | Journal Contribution | A1 |
| 80 | 2005 | The band 12 issue in the electron momentum spectra of norbornane: A comparison with additional Green's Function calculations and ultraviolet photoemission measurements | KNIPPENBERG, Stefan; DELEUZE, Michael; CLEIJ, Thomas; FRANCOIS, Jean-Pierre; Cederbaum, LS; Eland, JHD | Journal Contribution | A1 |
| 81 | 2005 | Probing the shape and stereochemistry of molecular orbitals in locally flexible aromatic chains: A Penning ionization electron spectroscopy and Green's function study of the electronic structure of biphenyl | Kishimoto, N; Hagihara, Y; Ohno, K; KNIPPENBERG, Stefan; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 82 | 2005 | Investigation into the valence electronic structure of norbornene using electron momentum spectroscopy, green's function, and density functional theories | KNIPPENBERG, Stefan; Nixon, KL; Mackenzie-Ross, H; Brunger, MJ; Wang, F; DELEUZE, Michael; FRANCOIS, Jean-Pierre; Winkler, DA | Journal Contribution | A1 |
| 83 | 2005 | The fate of dicationic states in molecular clusters of benzene and related compounds | DELEUZE, Michael; FRANCOIS, Jean-Pierre; KRYACHKO, Eugene | Journal Contribution | A1 |
| 84 | 2004 | Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons: III: coronene, 1.2,6.7-dibenzopyrene, 1.12-benzoperylene, anthanthrene | DELEUZE, Michael | Journal Contribution | A1 |
| 85 | 2004 | Theoretical study of the internal conversion of sulfoxide precursors of poly-isothianaphthene and related polymers | CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 86 | 2004 | Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories | KNIPPENBERG, Stefan; Nixon, KL; Brunger, MJ; Maddern, T; Campbell, L; Trout, N; Wang, F; Newell, WR; DELEUZE, Michael; FRANCOIS, Jean-Pierre; Winkler, DA | Journal Contribution | A1 |
| 87 | 2004 | Collision-energy-resolved Penning ionization electron spectroscopy of bromomethanes (CH3Br, CH2Br2, and CHBr3) by collision with He*(2(3)S) metastable atoms | Kishimoto, N; Matsumura, E; Ohno, K; DELEUZE, Michael | Journal Contribution | A1 |
| 88 | 2003 | Nucleation of organic semiconductors on inert substrates | VERLAAK, Stijn; Steudel, S; Heremans, P; Janssen, D; DELEUZE, Michael | Journal Contribution | A1 |
| 89 | 2003 | Effect of Thermal Motions on the Structure and UV-Visible Electronic Spectra of Stilbene and Model Oligomers of Poly(p-Phenylene Vinylene) | KWASNIEWSKI, Sergiusz; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 90 | 2003 | Theoretical Study of the Conversion of Sulfonyl Precursors into Chains of Poly(p-phenylene vinylene) | CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 91 | 2003 | Theoretical study of the internal elimination reactions of xanthate precursors | CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 92 | 2003 | Benchmark theoretical study of the ionization threshold of benzene and oligoacenes | DELEUZE, Michael; CLAES, Luc; KRYACHKO, Eugene; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 93 | 2003 | High level theoretical study of the structure and rotational barriers of trans-stilbene | KWASNIEWSKI, Sergiusz; CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 94 | 2003 | Computational study of the structural and vibrational properties of ten and twelve vertex closo-carboranes | SALAM, Akbar; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 95 | 2003 | The issues of size and charge consistency and the implications of translation symmetry in advanced Green's function theories | DELEUZE, Michael | Journal Contribution | A1 |
| 96 | 2002 | Valence one-electron and shake-up ionization bands of carbon clusters. III. The Cn (n=5,7,9,11) rings | DELEUZE, Michael; GIUFFREDA, Maria; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 97 | 2002 | High-level theoretical study of the conformational equilibrium of n-pentane | SALAM, Akbar; DELEUZE, Michael | Journal Contribution | A1 |
| 98 | 2002 | Structural, Rotational, Vibrational, and Electronic Properties of Carbon Cluster Anions Cn- (n = 3-13) | GIUFFREDA, Maria; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 99 | 2002 | From Sulfoxide Precursors to Model Oligomers of Conducting Polymers | CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 100 | 2002 | Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons: II: azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene | DELEUZE, Michael | Journal Contribution | A1 |
| 101 | 2001 | Comparative study of the molecular structure of stilbene using molecular mechanics, Hartree-Fock, and density functional theories | CLAES, Luc; KWASNIEWSKI, Sergiusz; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 102 | 2001 | Theoretical study of the vertical electron excitation of linear carbon clusters C-3, C-5, and C-7 | GIUFFREDA, Maria; DELEUZE, Michael; FRANCOIS, Jean-Pierre; Trofimov, AB | Journal Contribution | A1 |
| 103 | 2001 | Temperature effects on the UV-Vis electronic spectrum of trans-stilbene | KWASNIEWSKI, Sergiusz; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 104 | 2001 | Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds | DELEUZE, Michael; Delhalle, J. | Journal Contribution | A1 |
| 105 | 2001 | Molecular packing of oligomer chains of poly(p-phenylene vinylene) | CLAES, Luc; FRANCOIS, Jean-Pierre; DELEUZE, Michael | Journal Contribution | A1 |
| 106 | 2001 | Ab initio and density functional theory calculation of the structure and vibrational properties of n-vertex closo-carboranes, n=5, 6 and 7 | SALAM, Akbar; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 107 | 2001 | Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene | Trofimov, AB; Cederbaum, LS; DELEUZE, Michael | Journal Contribution | A1 |
| 108 | 2001 | Probing Molecular Conformations with Electron Momentum Spectroscopy: The Case of n-Butane | DELEUZE, Michael; Pang, W.N.; Shang, R.C.; SALAM, Akbar | Journal Contribution | A1 |
| 109 | 2000 | Valence electron momentum spectroscopy of n-butane | Pang, WN; Gao, JF; Ruan, CJ; Shang, RC; Trofimov, AB; DELEUZE, Michael | Journal Contribution | A1 |
| 110 | 2000 | Can Benzylic Amide [2]Catenane Rings Rotate on Graphite? | DELEUZE, Michael | Journal Contribution | A1 |
| 111 | 2000 | Calculation of molecular response properties with the second-order coupled perturbed electron propagator | DELEUZE, Michael; Pickup, BT; Wilton, DJ | Journal Contribution | A1 |
| 112 | 2000 | On the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation | DELEUZE, Michael; Denis, JP; Delhalle, J | Journal Contribution | A1 |
| 113 | 2000 | Inelastic neutron scattering spectroscopy of C-60@calix[8]arene | Paci, B; Caciuffo, R; Arduini, A.; Zerbetto, F; DELEUZE, Michael | Journal Contribution | A1 |
| 114 | 2000 | Optical properties of trans-stilbene using semiempirical and time-dependent density functional theory: A comparative study | KWASNIEWSKI, Sergiusz; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 115 | 2000 | Ionization Bands and Electron Affinities of Mixed Boron-Nitrogen BnNn Clusters (n = 3,4,5) | DELEUZE, Michael; GIUFFREDA, Maria; FRANCOIS, Jean-Pierre; Cederbaum, L. S. | Journal Contribution | A1 |
| 116 | 2000 | Valence one-electron and shake-up ionization bands of carbon clusters. II. The C-n (n=4,6,8,10) rings | DELEUZE, Michael; GIUFFREDA, Maria; FRANCOIS, Jean-Pierre; Cederbaum, LS | Journal Contribution | A1 |
| 117 | 2000 | Structural, rotational, and vibrational properties of mixed ionized boron-nitrogen clusters BnNn+ (n=3-10) | GIUFFREDA, Maria; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | A1 |
| 118 | 1999 | Modeling buckminsterfullerene spinning in (C-60)(n) clusters | DELEUZE, Michael; Zerbetto, F. | Journal Contribution | |
| 119 | 1999 | The new challenges of the theory of ionization for polymers and solids | DELEUZE, Michael; Cederbaum, L.S. | Journal Contribution | |
| 120 | 1999 | How do benzylic amide [2]catenane rings rotate? | DELEUZE, Michael; Leigh, DA; Zerbetto, F | Journal Contribution | |
| 121 | 1999 | Valence correlation bands of model oligomers of polyethylene: A Green's function study by the band-Lanczos approach | Golod, A; DELEUZE, Michael; Cederbaum, LS | Journal Contribution | |
| 122 | 1999 | Valence one-electron and shake-up ionization bands of carbon clusters. I. The C-n (n=3,5,7,9) chains | DELEUZE, Michael; GIUFFREDA, Maria; FRANCOIS, Jean-Pierre; Cederbaum, LS | Journal Contribution | |
| 123 | 1999 | Structural, Rotational, Vibrational, and Electronic Properties of Ionized Carbon Clusters Cn+ (n = 4-19) | GIUFFREDA, Maria; DELEUZE, Michael; FRANCOIS, Jean-Pierre | Journal Contribution | |
| 124 | 1998 | Nuclear motions of an inclusion complex of calix[4]arene | Paci, B; DELEUZE, Michael; Caciuffo, R; Tomkinson, J; Ugozzoli, F; Zerbetto, F | Journal Contribution | |
| 125 | 1998 | Investigation of the valence electronic structure of n-butane using (e,2e) spectroscopy | Pang, WN; Shang, RC; Gao, JF; Gao, NF; Chen, XJ; DELEUZE, Michael | Journal Contribution | |
| 126 | 1998 | Inelastic neutron scattering of large molecular systems: a case study of a benzylic amide [2] catenane | Caciuffo, R.; Espoti, A.D.; DELEUZE, Michael; Leigh, D.A.; Murphy, A.; Paci, B.; Parker, S.; Zerbetto, F. | Journal Contribution | |
| 127 | 1998 | Controlling the frequency of macrocyclic rotation in benzylic amide [2] catenanes | Leigh, D.A.; Murphy, A.; Smart, J.P.; DELEUZE, Michael; Zerbetto, F. | Journal Contribution | |
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