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Denis Jacquemin
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2020 – today
- 2024
- [j6]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): 1791-1805 (2024)
2010 – 2019
- 2018
- [j5]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): 1295-1313 (2018) - 2016
- [j4]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): 2564-2572 (2016) - 2010
- [j3]Catherine Michaux, Johan Wouters, Denis Jacquemin, Eric A. Perpète:
A theoretical investigation of microhydration of amino acids. J. Cheminformatics 2(S-1): 15 (2010)
2000 – 2009
- 2008
- [j2]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): 921-925 (2008) - 2002
- [j1]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): 1430-1444 (2002)
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