Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems. - Denis Jacquemin; Benoît Champagne 002; Jean-Marie André; Erik Deumens; Yngve Öhrn (J. Comput. Chem., 2002)

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)

A theoretical investigation of microhydration of amino acids. - Catherine Michaux; Johan Wouters; Denis Jacquemin; Eric A. Perpète (J. Cheminformatics, 2010)

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)

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)

A mountaineering strategy to excited states: Accurate vertical transition energies and benchmarks for substituted benzenes. - Pierre-François Loos; Denis Jacquemin (J. Comput. Chem., 2024)