𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio SCF study of the structure and vibrational spectrum of thiirene

✍ Scribed by Hess, B. Andes; Schaad, L. J.; Ewig, Carl S.


Book ID
127274703
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
276 KB
Volume
102
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular structure, vibrational frequen
✍ J.M. Ricart; J. Rubio; F. Illas πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 408 KB

The geometrical parameters for SnX, (X = Cl, Br, 1) and SnXl have been optimized at the SCF and CI levels using non-empirical pseudopotentials and a basis set of double-zeta plus polarization quality. For the neutral molecules the geometrical parameters are in agreement with the experimental values,