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Displaying 16 results.
    • Journal article
    Theoretical calculation of the heat of formation of fulvene
    Lories, Xavier[UCL] Vandooren, Jacques[UCL] Peeters, Daniel[UCL] (2008) Chemical Physics Letters — Vol. 452, no. 1-3, p. 29-32 (2008)
    • Journal article
    How important is metal-ligand back-bonding toward YX3 ligands (Y = N, P, C, Si)? an NBO analysis
    Leyssens, Tom[UCL] Peeters, Daniel[UCL] Orpen, A. Guy Harvey, Jeremy (2007) Organometallics — Vol. 26, no. 10, p. 2637-2645 (2007)
    • Journal article
    Synthesis of new tetraethyl(N-alkyl-1-aminoethan-1,1-diyl)bisphosphona-tes and ESR analysis of chemical exchange of derived nitroxides of acyclic aminobisphosphonates
    Olive, Gilles Rockenbauer, Antal Rozanska, Xavier Jacques, Alain[UCL] Peeters, Daniel[UCL] German, Anton (2007) Phosphorus, Sulfur and Silicon and the Related Elements — Vol. 182, no. 10, p. 2359-2369 (2007)
    • Journal article
    (R)-4-phenyloxazolidin-2-thione: an efficient chiral auxiliary for [4+2] cycloaddition of 1-aminodiene and activated phosphonodienophiles
    Monbaliu, Jean-Christophe[UCL] Robiette, Raphaël[UCL] Peeters, Daniel[UCL] Marchand-Brynaert, Jacqueline[UCL] (2009) Tetrahedron Letters — Vol. 50, no. 12, p. 1314-1317 (2009)
    • Journal article
    Novel chiral 1-phosphono-1,3-butadiene for asymmetric hetero Diels-Alder cycloadditions with nitroso and azodicarboxylate dienophiles
    Monbaliu, Jean-Christophe[UCL] Tinant, Bernard[UCL] Peeters, Daniel[UCL] Marchand-Brynaert, Jacqueline[UCL] (2010) Tetrahedron Letters — Vol. 51, no. 7, p. 1052-1055 (2010)
    • Journal article
    DFT Study of Bimetallic Palladium-Gold Clusters PdnAum of Low Nuclearities (n plus m <= 14)
    Zanti, Giuseppe[UCL] Peeters, Daniel[UCL] (2010) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory — Vol. 114, no. 38, p. 10345-10356 (2010)
    • Journal article
    Cycle formation from acetylene addition on C4H3 radicals.
    Lories, Xavier[UCL] Vandooren, Jacques[UCL] Peeters, Daniel[UCL] (2010) Physical chemistry chemical physics : PCCP — Vol. 12, no. 15, p. 3762-71 (2010)
    • Journal article
    DFT Study of Small Palladium Clusters Pd-n and Their Interaction with a CO Ligand (n=1-9)
    Zanti, Giuseppe[UCL] Peeters, Daniel[UCL] (2009) European Journal of Inorganic Chemistry — , no. 26, p. 3904-3911 (2009)
    • Journal article
    A flux-limiting wetting-drying method for finite-element shallow-water models, with application to the Scheldt Estuary
    Gourgue, Olivier[UCL] Comblen, Richard[UCL] Lambrechts, Jonathan[UCL] Kärnä, Tuomas[UCL] Legat, Vincent[UCL] Deleersnijder, Eric[UCL] (2009) Advances in Water Resources — Vol. 32, no. 12, p. 1726-1739 (2009)
    • Journal article
    Modelling of plastic flow localisation and damage development in friction stir welded 6005A aluminium alloy using physics based strain hardening law
    Nielsen, K. L.[UCL] Pardoen, Thomas[UCL] Tvergaard, V. de Meester, B.[UCL] Simar, Aude[UCL] (2010) International Journal of Solids and Structures — Vol. 47, no. 18-19, p. 2359-2370 (2010)
    • Journal article
    Is anthracene cofactor or spectator for the thermolysis of anthracenyl acylnitroso cycloadducts in the presence of a diene?
    Monbaliu, Jean-Christophe[UCL] Marchand-Brynaert, Jacqueline[UCL] Peeters, Daniel[UCL] (2009) Tetrahedron Letters — Vol. 50, no. 21, p. 2555-2558 (2009)
    • Journal article
    Theoretical study of the properties of sulfone and sulfoxide functional groups
    Vandermeeren, L. Leyssens, Tom[UCL] Peeters, Daniel[UCL] (2007) Journal of Molecular Structure: THEOCHEM — Vol. 804, no. 1-3, p. 1-8 (2007)
    • Journal article
    Mechanism of ketone hydrosilylation by Cu(I) catalysts: A theoretical study
    Gathy, Thomas[UCL] Peeters, Daniel[UCL] Leyssens, Tom[UCL] (2009) Journal of Organometallic Chemistry — Vol. 694, no. 24, p. 3943-3950 (2009)
    • Journal article
    A general description of phosphorus containing functional groups
    Leyssens, Tom[UCL] Peeters, Daniel[UCL] (2008) Tetrahedron Letters — Vol. 49, no. 13, p. 2095-2098 (2008)
    • Journal article
    Origin of enantioselective hydrogenation of ketones by RuH2(diphosphine)(diamine) catalysts: A theoretical study
    Leyssens, Tom[UCL] Peeters, Daniel[UCL] Harvey, Jeremy (2008) Organometallics — Vol. 27, no. 7, p. 1514-1523 (2008)
    • Journal article
    Micro-mechanical modelling of ductile failure in 6005A aluminium using a physics based strain hardening law including stage IV
    Simar, Aude[UCL] Nielsen, K. L.[UCL] de Meester, B.[UCL] Tvergaard, V. Pardoen, Thomas[UCL] (2010) Engineering Fracture Mechanics — Vol. 77, no. 13, p. 2491-2503 (2010)