Harry Partridge, Charles W. Bauschlicher Jr., et al.
The Journal of Chemical Physics
The successive H2O binding energies of Na(H2O) n+ are in excellent agreement with experiment and are rather insensitive to electron correlation since the bonding is predominantly electrostatic. A point-charge model shows that changes in the successive binding energies are due primarily to ligand-ligand repulsion. Vibrational frequencies and infrared intensities are determined for Na(H2O)n+ (n = 1-4) at the self-consistent-field and second-order Møller-Plesset levels of theory to facilitate experimental study of these ions. © 1991 American Institute of Physics.
Harry Partridge, Charles W. Bauschlicher Jr., et al.
The Journal of Chemical Physics
Charles W. Bauschlicher Jr., Paul S. Bagus, et al.
Chemical Physics Letters
Charles W. Bauschlicher Jr., Paul S. Bagus, et al.
Chemical Physics Letters
Harry Partridge, Charles W. Bauschlicher Jr., et al.
The Journal of Chemical Physics