An ab initio and Density Functional Study of Al3As, Al3As-, AlAs3, and AlAs3-.
β Scribed by Edet F. Archibong; Alain St-Amant
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 27 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0931-7597
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β‘ Ε½ . β¬G 298 K values were in good agreement with experimental values published recently. In addition, we also performed MM3 calculations on Si H and 2 6 Si Me . MM3 calculated rotational barriers and thermodynamic properties were 2 6 compared with high level ab initio results. Based on this compari
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