Ab initio molecular electronic-structure theory has been used in an attempt to characterize the low-lying stationary points on the potential energy hypersurface of positive ionic hydrogen clusters. Using triple-zeta-plus-polarization hasis sets, self-consistentfield Hartree-Fock calculations, confmr
✦ LIBER ✦
Ab initio calculations of Fe–Ni clusters
✍ Scribed by T. Nakazawa; T. Igarashi; T. Tsuru; Y. Kaji
- Book ID
- 116375377
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 261 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0927-0256
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