Ab initio Study of Some Intramolecularly Donor-Stabilized Silenes
โ Scribed by Dirk Wandschneider; Manfred Michalik; Hartmut Oehme; Andreas Heintz
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 126 KB
- Volume
- 2005
- Category
- Article
- ISSN
- 1434-1948
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Ab initio calculations using the 6-3 1 G' and the 6-3 11 G' basis sets are performed on HeO: , LiO: and N20$ complexes. In the HeO: and N20: complexes the positive charge is on the oxygen and the complexes are not bound with respect to dissociation into He or Nz and 0:. In the LiO: complex the posit