Paul S. Bagus, Henry F. Schaefer III, et al.
The Journal of Chemical Physics
Paper
On the nature of the low-lying states of TiO
Abstract
A series of CAS SCF calculations are used to describe the lowest states of TiO. TiO is described as having polarized double bonds involving the Ti 3d orbitals. The nature of the excited states is discussed. © 1983.
Related
Paul S. Bagus, Klaus Hermann, et al.
The Journal of Chemical Physics
Gianfranco Pacchionia, Anna Maria Ferrari, et al.
Surface Science
Charles W. Bauschlicher Jr., Paul S. Bagus
Physical Review Letters