Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field Method. - Vincent Théry; Daniel Rinaldi; Jean-Louis Rivail; Bernard Maigret; György G. Ferenczy (J. Comput. Chem., 1994)

A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water. - Iñaki Tuñón; Marilia T. C. Martins-Costa; Claude Millot; Manuel F. Ruiz-López; Jean-Louis Rivail (J. Comput. Chem., 1996)

Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method. - Nicolas Ferré; Xavier Assfeld; Jean-Louis Rivail (J. Comput. Chem., 2002)