Nucleation of organic semiconductors on inert substrates S Verlaak, S Steudel, P Heremans, D Janssen, MS Deleuze
Physical Review B 68 (19), 195409, 2003
280 2003 A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes B Hajgató, D Szieberth, P Geerlings, F De Proft, MS Deleuze
The Journal of chemical physics 131 (22), 2009
220 2009 Benchmark theoretical study of the ionization threshold of benzene and oligoacenes MS Deleuze, L Claes, ES Kryachko, JP François
The Journal of chemical physics 119 (6), 3106-3119, 2003
127 2003 Controlling the frequency of macrocyclic ring rotation in benzylic amide [2] catenanes DA Leigh, A Murphy, JP Smart, MS Deleuze, F Zerbetto
Journal of the American Chemical Society 120 (26), 6458-6467, 1998
123 1998 Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene MS Deleuze
The Journal of chemical physics 116 (16), 7012-7026, 2002
122 2002 Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene MS Deleuze, AB Trofimov, LS Cederbaum
The Journal of Chemical Physics 115 (13), 5859-5882, 2001
119 2001 High level theoretical study of the structure and rotational barriers of trans-stilbene SP Kwasniewski, L Claes, JP François, MS Deleuze
The Journal of chemical physics 118 (17), 7823-7836, 2003
117 2003 A benchmark theoretical study of the electron affinities of benzene and linear acenes B Hajgató, MS Deleuze, DJ Tozer, F De Proft
The Journal of chemical physics 129 (8), 2008
113 2008 Focal point analysis of the singlet–triplet energy gap of octacene and larger acenes B Hajgató, M Huzak, MS Deleuze
The Journal of Physical Chemistry A 115 (33), 9282-9293, 2011
105 2011 High resolution electron momentum spectroscopy of the valence orbitals of water CG Ning, B Hajgató, YR Huang, SF Zhang, K Liu, ZH Luo, S Knippenberg, ...
Chemical Physics 343 (1), 19-30, 2008
102 2008 How do benzylic amide [2] catenane rings rotate? MS Deleuze, DA Leigh, F Zerbetto
Journal of the American Chemical Society 121 (11), 2364-2379, 1999
88 1999 High-level theoretical study of the conformational equilibrium of n -pentane A Salam, MS Deleuze
The Journal of chemical physics 116 (4), 1296-1302, 2002
82 2002 Probing Molecular Conformations with Electron Momentum Spectroscopy: The Case of n -Butane MS Deleuze, WN Pang, A Salam, RC Shang
Journal of the American Chemical Society 123 (17), 4049-4061, 2001
81 2001 Theoretical study of the oxidation mechanisms of naphthalene initiated by hydroxyl radicals: the OH-addition pathway A Shiroudi, MS Deleuze, S Canneaux
The Journal of Physical Chemistry A 118 (26), 4593-4610, 2014
67 2014 Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. III. Coronene, 1.2, 6.7-dibenzopyrene, 1.12-benzoperylene, anthanthrene MS Deleuze
The Journal of Physical Chemistry A 108 (42), 9244-9259, 2004
66 2004 Structural, Rotational, Vibrational, and Electronic Properties of Ionized Carbon Clusters Cn + (n = 4−19) MG Giuffreda, MS Deleuze, JP François
The Journal of Physical Chemistry A 103 (26), 5137-5151, 1999
66 1999 Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: an impossible compromise? M Huzak, MS Deleuze, B Hajgató
The Journal of chemical physics 135 (10), 2011
64 2011 Surface molecular structure of self-assembled alkanethiols evidenced by UPS and photoemission with synchrotron radiation AS Duwez, S Di Paolo, J Ghijsen, J Riga, M Deleuze, J Delhalle
The Journal of Physical Chemistry B 101 (6), 884-890, 1997
64 1997 Study of the molecular structure, ionization spectrum, and electronic wave function of 1, 3-butadiene using electron momentum spectroscopy and benchmark Dyson orbital theories MS Deleuze, S Knippenberg
The Journal of chemical physics 125 (10), 2006
61 2006 Valence one-electron and shake-up ionization bands of carbon clusters. I. The MS Deleuze, MG Giuffreda, JP François, LS Cederbaum
The Journal of chemical physics 111 (13), 5851-5865, 1999
61 1999 