Denis Jacquemin

According to our database, Denis Jacquemin authored at least 6 papers between 2002 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

A mountaineering strategy to excited states: Accurate vertical transition energies and benchmarks for substituted benzenes.

Pierre-François Loos, Denis Jacquemin

J. Comput. Chem., 2024

2018

Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods.

Laurence Leherte, Axel Petit, Denis Jacquemin, Daniel P. Vercauteren, Adèle D. Laurent

J. Comput. Aided Mol. Des., 2018

2016

Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction.

Pierre O. Hubin, Denis Jacquemin, Laurence Leherte, Daniel P. Vercauteren

J. Comput. Chem., 2016

2010

A theoretical investigation of microhydration of amino acids.

Catherine Michaux, Johan Wouters, Denis Jacquemin, Eric A. Perpète

J. Cheminformatics, 2010

2008

Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.

Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo

J. Comput. Chem., 2008

2002

Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.

Denis Jacquemin, Benoît Champagne, Jean-Marie André, Erik Deumens, Yngve Öhrn

J. Comput. Chem., 2002