Ab initio rovibronic states of the thioketenyl radical in its X2Π electronic ground state
✍ Scribed by Jutier, Laurent; Dhont, Guillaume
- Book ID
- 120493609
- Publisher
- American Institute of Physics
- Year
- 2011
- Tongue
- English
- Weight
- 617 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X 2~ + and first excited A21-I states of the SiN radical have been c
The potential energy, quadrupole moments and di[~ole polarisabilities have been calculated at the full valence space CASSCF level using a [8s6p3d] basis for the ground X'l-lg state of O~-as a function of internuclear distance. Vibrationally averaged values are also calculated for the quadrupole mome
The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 'Z+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [ Ss6p3d] basis set In addition, dipole polansablhtles have also been calculated at the HF and MP2 l