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Michael Deleuze
Michael Deleuze
Hasselt university
Verified email at skynet.be
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Nucleation of organic semiconductors on inert substrates
S Verlaak, S Steudel, P Heremans, D Janssen, MS Deleuze
Physical Review B 68 (19), 195409, 2003
2782003
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), 224321, 2009
2042009
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
1211998
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
1182003
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
1172003
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
1172002
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
1152001
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), 084308, 2008
1012008
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
972011
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
962008
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
871999
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
792001
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
772002
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
651999
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
642004
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
611997
Plane wave and orthogonalized plane wave many-body Green's function calculations of photoionization intensities
M Deleuze, BT Pickup, J Delhalle
Molecular Physics 83 (4), 655-686, 1994
611994
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), 104704, 2011
602011
Valence one-electron and shake-up ionization bands of carbon clusters. I. The chains
MS Deleuze, MG Giuffreda, JP François, LS Cederbaum
The Journal of chemical physics 111 (13), 5851-5865, 1999
601999
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), 104309, 2006
592006
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