Papers authored by Frederik Tielens
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Christelle Gervais,
Jean François Lambert,
Jean François Lambert ,
Francesco Mauri ,
Dominique Costa
Ab initio study of the hydroxylated surface of amorphous silica : a representative model.
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Dominique Costa,
Vincent Humblot,
Claire-Marie Pradier
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Juan Andrés
Prediction of Gold Zigzag Nanotube-like Structure Based on Au32Units: A Quantum Chemical Study
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J. Andrés,
P. Gaspard,
R. L. C. Wang,
H. J. Kreuzer,
N. Kruse
Oxygen adsorption on gold nanofacets and model clusters
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J. Andrés,
T.-D. Chau,
T. Visart de Bocarmé,
N. Kruse,
P. Geerlings
Molecular oxygen adsorption on electropositive nano gold tips
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Christian Minot
DFT study of the water/MgO(100) interface in acidic and basic media
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M. Calatayud,
A. Beltran,
C. Minot,
J. Andres
Lithium insertion and mobility in the TiO2-anatase/titanate structure: A periodic DFT study
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J. Andrés,
M. Van Brussel,
C. Buess Hermann,
P. Geerlings
DFT Study of Oxygen Adsorption on Modified Nanostructured Gold Pyramids
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Joeri F. M. Denayer ,
Inge Daems,
Gino V. Baron,
Wilfried J. Mortier,
Paul Geerlings
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Paul Geerlings
Adsorption energy surfaces in faujasite type zeolites
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Mark Saeys,
E. Tourwe,
Guy B. Marin,
§ and A. Hubin ,
P. Geerlings
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F. De Proft,
P. Geerlings
Density functional theory study of the conformation and energetics of silanol and disiloxane
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Paul Geerlings
Henry constants predicted using multipole expansion for the interaction energies
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Paul Geerlings
An ab initio study of adsorption related properties of diatomic molecules in zeolites
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P. Geerlings
Performance and basis set dependence of density functional theory dipole and quadrupole moments
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