On the highest oxidation states of the actinoids in AnO<sub>4</sub> molecules (An = Ac - Cm): A DMRG-CASSCF study.
J. Comput. Chem., January, 2023
TGMin: An efficient global minimum searching program for free and surface-supported clusters.
J. Comput. Chem., 2019
Polarizable force field parameterization and theoretical simulations of ThCl4-LiCl molten salts.
J. Comput. Chem., 2018