Using self-consistent calculations based on density functional theory we demonstrate that clusters with reduced chemical reactivity can be designed by suitably varying their size and composition. Analogous to the rare-gas atoms, clusters with closed electronic shells are found to be less reactive to
A critical assessment of closed- and open-shell heterocyclobutadienes
β Scribed by Rama K. Mishra; Bijay K. Mishra
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 256 KB
- Volume
- 151
- Category
- Article
- ISSN
- 0009-2614
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