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Theoretical Studies on the Potential Energy Surfaces of N 8 Clusters

✍ Scribed by Li, Qian Shu; Wang, Li Jie

Book ID
125902755
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
91 KB
Volume
105
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Theoretical studies on a possible synthe
Theoretical studies on a possible synthesis reaction pathway on N8 (CS) clusters
✍ Li Jie Wang; Se Li; Qian Shu Li πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 131 KB

## Abstract The potential energy surfaces of N~8~ clusters were investigated by density functional theory (DFT) and a possible synthesis reaction pathway for N~8~ (C~S~) was suggested. The species involved were fully optimized up to the B3LYP/6‐311+G\* level of theory. Relative energies were furthe