Ab initio study of cyclic hexahalotriphosphazenes
✍ Scribed by Martin Breza; Stanislav Biskupič
- Book ID
- 113258488
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 273 KB
- Volume
- 309
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio calculations, in the frame of MO theory, were carried out on both most stable (chair) conformers of trimethylene cyclic sulfite. Optimized geometries derived at the HF/6-31G\* level reveal that both conformers possess a rigid chair conformation with the S=O group located either axially (co
The geometry optimizations for several conformations of tri-, tetra-, and pentacyclosiloxane (H,SiO), ( n = 3, 4, and 5) were carried out, and the relative stabilities were compared at the Hartree-Fock (HF) and second order perturbation theory (MP2) levels of theory using the 6-31G\* and 6-311G(d, p