Scrutinizing "Invisible" astatine: A challenge for modern density functionals. - Dumitru-Claudiu Sergentu; Grégoire David; Gilles Montavon; Rémi Maurice; Nicolas Galland (J. Comput. Chem., 2016)

The bonding picture in hypervalent XF3 (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology. - Mohamed Amaouch; Dumitru-Claudiu Sergentu; David Steinmetz; Rémi Maurice; Nicolas Galland; Julien Pilmé (J. Comput. Chem., 2017)

Quantum chemical topology at the spin-orbit configuration interaction level: Application to astatine compounds. - Cecilia Gomez Pech; Pi A. B. Haase; Dumitru-Claudiu Sergentu; Anastasia Borschevsky; Julien Pilmé; Nicolas Galland; Rémi Maurice (J. Comput. Chem., 2020)