Structure of Polynitrogen Clusters Encapsulated in C 60 : A Density Functional Study
โ Scribed by Sharma, Hitesh; Garg, Isha; Dharamvir, Keya; Jindal, V. K.
- Book ID
- 124089759
- Publisher
- American Chemical Society
- Year
- 2010
- Tongue
- English
- Weight
- 521 KB
- Volume
- 114
- Category
- Article
- ISSN
- 1932-7447
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๐ SIMILAR VOLUMES
Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra
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