Electron attachment and localization to ammonia clusters, (NHs); (n= 16-256), is studied using path-integral molecular simulations, employing an electron-molecule pseudopotential which includes Coulomb, polarization, exclusion and exchange contributions. Due to the nature of the interactions the amm
Clusters of water and ammonia with excess electrons
β Scribed by Hellmut Haberland; Christoph Ludewigt; Hans-Georg Schindler; Douglas R. Worsnop
- Publisher
- Elsevier Science
- Year
- 1985
- Weight
- 58 KB
- Volume
- 156
- Category
- Article
- ISSN
- 0167-2584
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## Abstract Electronic properties of H~2~O~2~(H~2~O)~1β6~ and (H~2~O)~1β7~ clusters are reported. Emphasis was placed on the changes induced by the presence of hydrogen peroxide on the electronic properties of water aggregates. Theoretical results for excitation energies as well as vertical and adi