Symmetry calculation for molecules and transition states. - Nick M. Vandewiele; Ruben Van de Vijver; Kevin M. Van Geem; Marie Françoise Reyniers; Guy B. Marin (J. Comput. Chem., 2015)

Scalability strategies for automated reaction mechanism generation. - Agnes Jocher; Nick M. Vandewiele; Kehang Han; Mengjie Liu; Connie W. Gao; Ryan J. Gillis; William H. Green Jr. (Comput. Chem. Eng., 2019)