Q-Chem 2.0: a high-performance ab initio electronic structure program package. - Jing Kong; Christopher A. White; Anna I. Krylov; C. David Sherrill; Ross D. Adamson; Thomas R. Furlani; Michael S. Lee; Aaron M. Lee; Steven R. Gwaltney; Terry R. Adams; Christian Ochsenfeld; Andrew T. B. Gilbert; et al. (J. Comput. Chem., 2000)

6-31G* basis set for third-row atoms. - Vitaly A. Rassolov; Mark A. Ratner; John A. Pople; Paul C. Redfern; Larry A. Curtiss (J. Comput. Chem., 2001)