Denis Jacquemin

Publication Activity (10 Years)

Years Active: 2002-2024
Publications (10 Years): 3

Top Topics

Molecular Dynamics

Image Intensity

Transition Model

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Pierre-François Loos, Denis Jacquemin
A mountaineering strategy to excited states: Accurate vertical transition energies and benchmarks for substituted benzenes. J. Comput. Chem. 45 (21, August) (2024)
Laurence Leherte, Axel Petit, Denis Jacquemin, Daniel P. Vercauteren, Adèle D. Laurent
Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods. J. Comput. Aided Mol. Des. 32 (11) (2018)
Pierre O. Hubin, Denis Jacquemin, Laurence Leherte, Daniel P. Vercauteren
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction. J. Comput. Chem. 37 (29) (2016)
Catherine Michaux, Johan Wouters, Denis Jacquemin, Eric A. Perpète
A theoretical investigation of microhydration of amino acids. J. Cheminformatics 2 (S-1) (2010)
Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo
Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals. J. Comput. Chem. 29 (6) (2008)
Denis Jacquemin, Benoît Champagne, Jean-Marie André, Erik Deumens, Yngve Öhrn
Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems. J. Comput. Chem. 23 (15) (2002)