An ab Initio Study of Linear XH−HX Hydrogen Halide Anions
✍ Scribed by Rauk, A.; Armstrong, D. A.
- Book ID
- 125940766
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 49 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
SCF-MO results using a large gaussian sp-basis set are given for the hydrogen-bonded complexes of cyclopropane with HF and HCl. The complexes are calculated to have edge-on geometry, as found experimentally. Well depths, Mulliken population indices and. one-electron properties are given for the com
SCF-MO calculations using a large atomic orbital basis set predict that both heterodimers C2HIS...HF and C2H4S...HC1 are stable, with non-planar equilibrium geometries. Well depths, Mulliken population indices and several one-electron properties are reported for the heterodimers.