## Abstract Co‐condensation of silver atoms and SiS in an argon matrix leads to the formation of Ag(SiS). The IR spectrum can be interpreted in two different ways: Isotopic shifts (^28^Si/^29^Si, ^28^Si/^30^Si, ^32^S/^34^S) imply a side‐on coordination of SiS to silver. On the other hand, the SiS
✦ LIBER ✦
Interaction of As impurities with 30° partial dislocations in Si: An ab initio investigation
✍ Scribed by Antonelli, A.; Justo, J. F.; Fazzio, A.
- Book ID
- 111921083
- Publisher
- American Institute of Physics
- Year
- 2002
- Tongue
- English
- Weight
- 703 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0021-8979
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H + was taken as a prototypical cation for complexation with the carbonyl oxygen of 3-oxa-, 3,5-dioxa-, and 3-thiacyclohexanones. The geometries of the complexes were fully optimized using ab initio MO calculations with 6-31G basis set. The complexation desymmetrizes the molecular geometry further t