Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational details. - Javier González 004; Xavier Giménez; Josep Maria Bofill (J. Comput. Chem., 2007)

Algorithm to evaluate rate constants for polyatomic chemical reactions. II. Applications. - Javier González 004; Xavier Giménez; Josep Maria Bofill (J. Comput. Chem., 2007)

Implementation of an algorithm based on the Runge-Kutta-Fehlberg technique and the potential energy as a reaction coordinate to locate intrinsic reaction paths. - Antoni Aguilar-Mogas; Xavier Giménez; Josep Maria Bofill (J. Comput. Chem., 2010)