Benoît Champagne
Contact
Dr. Benoît Champagne
Univ. of Namur
Dept. de Chimie
Rue de Bruxelles, 61
5000 Namur
Belgium
website,
mail
Expertise
Metals: Ru,
Ag, Au
Techniques: Methods for predicting and interpreting molecular properties
Resources: HPC infrastructures
Recent publications
J. Guthmuller, B. Champagne, C. Moucheron, and A. Kirsch - De Mesmaeker
"Investigation of the Resonance Raman Spectra and Excitation Profiles of a Monometallic Ruthenium(II) [Ru(bpy)2 (HAT)]2+ Complex by Time-Dependent Density Functional Theory"
J. Phys. Chem. B 2010, 114, 511-520
[abstract]
DOI: 10.1021/jp908154q
H. Fukui, M. Nakano, Y. Shigeta, and B. Champagne
"Origin of the Enhancement of the Second Hyperpolarizabilities in Open-Shell Singlet Transition-Metal Systems with Metal–Metal Multiple Bonds"
J. Phys. Chem. Lett. 2011, 2, 2063-2066
[abstract]
DOI: 10.1021/jz2007897
M. Verswyvel, J. Steverlynck, S. Hadj Mohamed, M. Trabelsi, B. Champagne, and G. Koeckelberghs
"All-Conjugated ABC-block -copolymer Formation with a Varying Sequence via an Unassociated Catalyst"
Macromolecules 2014, 47, 4668-4675
[abstract]
DOI: 10.1021/ma500610p
H. Fukui, S. Takamuku, T. Yamada, K. Fukuda, T. Takebayashi, Y. Shigeta, R. Kishi, B. Champagne, and M. Nakano
"Open-Shell Character and Second Hyperpolarizabilities of One-Dimensional Chromium(II) Chains: Size Dependence and Bond-Length Alternation Effect"
Inorg. Chem. 2014, 53, 8700-8707
[abstract]
DOI: 10.1021/ic501334p
N. Staelens, L. Leherte, B. Champagne, and D.P. Vercauteren
"Modeling of Structural, Energetic, and Dynamic Properties of Few-Atom Silver Clusters Embedded in Polynucleotide Strands by Using Molecular Dynamics"
ChemPhysChem 2015, 16, 360-369
[abstract]
DOI: 10.1002/cphc.201402632
