Analysis of accuracy in ab initio calculations of the static dipole polarizability components. Examples of the water molecule and hydroxide ion. - Gaétan Weck; Anne Milet; Robert Moszynski; Elise Kochanski (J. Comput. Methods Sci. Eng., 2004)

Reaction of nitrones with silyl ketene acetals: A DFT study. - Anne Milet; Yves Gimbert; Andrew E. Greene (J. Comput. Chem., 2006)

Exploring the Binding of Inhibitors Derived from Tetrabromobenzimidazole to the CK2 Protein Using a QM/MM-PB/SA Approach. - Marius Retegan; Anne Milet; Hélene Jamet (J. Chem. Inf. Model., 2009)

Investigating the interplay between charge transfer and CO2 insertion in the adsorption of a NiFe catalyst for CO2 electroreduction on a graphite support through DFT computational approaches. - Subash Arjunan; Joshua M. Sims; Carole Duboc; Pascale Maldivi; Anne Milet (J. Comput. Chem., 2024)