Electronic structures of of PuX (X=S, Se, Te)
β Scribed by Maehira, Takahiro; Sakai, Eijiro; Tatetsu, Yasutomi
- Book ID
- 121629205
- Publisher
- The Korean Physical Society
- Year
- 2013
- Tongue
- English
- Weight
- 202 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0374-4884
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies, and dipole moments of the title molecules in neutral, positively, and negatively charged ions were studied using density functional method. Ground electronic state was assigned fo
The electronic and geometrical structural properties of the group VIA trimers, Os, S,, Se3 and Tel in their ground and lowestenergy anion states have been calculated using an ab initio complete active space (CAS) MCSCF method with a double-zeta+polarization Gaussian basis set. Compact effective pote