A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment. - T. Nguyen Dzung; Andrew C. Scheiner; Jan W. Andzelm; Suzanne W. Sirois; Dennis R. Salahub; Arnold T. Hagler (J. Comput. Chem., 1997)

Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals. - Andrew C. Scheiner; Jon Baker; Jan W. Andzelm (J. Comput. Chem., 1997)