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Displaying 1 - 25 of 107 results.

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    • Journal article
    Sur la localisation des orbitales moléculaires en couches ouvertes
    Peeters, Daniel[UCL] Leroy, G.[UCL] (1977) Bulletin des Sociétés Chimiques Belges — Vol. 86, p. 833 (1977)
    • Journal article
    L'utilisation d'orbitales localisées dans l'étude théorique des molécules. IV. Le polyéthylène dans sa conformation T
    Leroy, G.[UCL] Peeters, Daniel[UCL] Rosoux-Clarisse, F.[UCL] (1976) Bulletin des Sociétés Chimiques Belges — Vol. 85, no. 9, p. 629-637 (1976)
    • Journal article
    Fourier transform infrared and theoretical study of alkylimines complexed with hydroxylic proton donors
    Peeters, Daniel[UCL] Zeegers-Huyskens, Th. Migchels, P. (1991) Journal of Physical Chemistry — Vol. 95, no. 20, p. 7599–7604 (1991)
    • Journal article
    The importance of the external potential on group electronegativity.
    Leyssens, Tom[UCL] Geerlings, Paul Peeters, Daniel[UCL] (2005) The journal of physical chemistry. A — Vol. 109, no. 43, p. 9882-9 (2005)
    • 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
    Theoretical study of the properties of phosphonate
    Leyssens, Tom[UCL] Peeters, Daniel[UCL] (2004) Journal of Molecular Structure: THEOCHEM — Vol. 673, no. 1-3, p. 79-86 (2004)
    • Journal article
    ESR investigation of chemical exchange in geminally diphosphorylated linear nitroxide radicals
    Rockenbauer, A Olive, G Rozanska, X Jacques, Alain[UCL] Gigmes, D Le Moigne, FO Peeters, Daniel[UCL] German, A Tordo, P. (2004) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory — Vol. 108, no. 25, p. 5484-5489 (2004)
    • Journal article
    Mechanistic insight into the (NHC)copper(I)-catalyzed hydrosilylation of ketones
    Vergote, Thomas[UCL] Nahra, F.[UCL] Merschaert, A. Riant, Olivier[UCL] Peeters, Daniel[UCL] Leyssens, Tom[UCL] (2014) Organometallics — Vol. 33, no.8, p. 1953-1963 (2014)
    • Journal article
    The proton affinities and proton transfer in imine, amidine and guanidine series
    Peeters, Daniel[UCL] Leroy, Georges[UCL] Wilante, Claude[UCL] (1997) Journal of Molecular Structure — Vol. 416, no. 1-3, p. 21-32 (1997)
    • Journal article
    Theoretical Computation of the Heats of Hydrogen Abstraction Reactions
    Peeters, Daniel[UCL] Leroy, Georges[UCL] (1995) Chemical Physics Letters — Vol. 246, no. 4-5, p. 481-487 (1995)
    • Journal article
    A Theoretical Investigation of the Structure and Reactivity of Nitrogen-centered Radicals
    Leroy, Georges[UCL] Sana, M. Wilante, Claude[UCL] Peeters, Daniel[UCL] Dogimont, C. (1987) Journal of Molecular Structure: THEOCHEM — Vol. 38, no. 3-4, p. 249-267 (1987)
    • Journal article
    On the use of localized orbitals and restricted alternant orbitals in chemical systems
    Peeters, Daniel[UCL] Leroy, Georges[UCL] (1978) Theoretica Chimica Acta — Vol. 50, no. 2, p. 135-144 (1978)
    • Journal article
    [Preliminary-study of Effect of Substituents On Properties of Cxyz Radicals]
    Leroy, Georges[UCL] Peeters, Daniel[UCL] Wilante, Claude[UCL] Khalil, M. (1980) Nouveau Journal de Chimie — Vol. 4, no. 6, p. 403-409 (1980)
    • Journal article
    Calculation of the polymerization process of some 1,1-disubstituted cyclopropanes: the first propagation step
    Peeters, Daniel[UCL] Mbala, NL Leroy, Georges[UCL] (2001) Journal of Molecular Structure: THEOCHEM — Vol. 540, p. 53-61 (2001)
    • Journal article
    Structure and Properties of H5o2+
    Peeters, Daniel[UCL] Leroy, Georges[UCL] (1991) Journal de Chimie Physique — Vol. 88, no. 4, p. 411-420 (1991)
    • Journal article
    Rotational Barriers of Some Ch2x Radicalar Compounds
    Peeters, Daniel[UCL] Leroy, Georges[UCL] Matagne, M. (1988) Journal of Molecular Structure: THEOCHEM — Vol. 43, p. 267-277 (1988)
    • Journal article
    [Calculation of stabilisation energy of chemical species]
    Leroy, Georges[UCL] Peeters, Daniel[UCL] Wilante, Claude[UCL] (1982) Journal of Molecular Structure: THEOCHEM — Vol. 5, no. 3-4, p. 217-233 (1982)
    • Journal article
    Denpot-80 programs
    Peeters, Daniel[UCL] Sana, M.[UCL] (1984) QCPE Bulletin — Vol. 4, no. 107, p. 483 (1984)
    • Journal article
    L'approche théorique des structures moléculaires
    Leroy, G.[UCL] Peeters, Daniel[UCL] Sana, M.[UCL] (1986) Nouvelles de la Science et des Technologies — Vol. 4, no. -, p. 9 (1986)
    • Journal article
    [Static approach to the chemical bond concept by the localised orbitals method]
    Leroy, Georges[UCL] Peeters, Daniel[UCL] Deplus, A. Tihange, M. (1979) Nouveau Journal de Chimie — Vol. 3, no. 4, p. 213-221 (1979)
    • Journal article
    Electronic structure analysis of small gold clusters Aum(m ≤ 16) by density functional theory
    Zanti, Giuseppe[UCL] Peeters, Daniel[UCL] (2012) Theoretical Chemistry Accounts : theory, computation and modeling — Vol. 132, no.--, p. 1300 (2012)
    • Journal article
    Endothermicity or exothermocicity of water alcohol mixtures
    Peeters, Daniel[UCL] Huyskens, Pierre[UCL] (1993) Journal of Molecular Structure — Vol. 300, p. 539-550 (1993)

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