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
โฆ LIBER โฆ
Transferable ionic simulation models from ab initio calculations
โ Scribed by Mark Wilson
- Book ID
- 117626390
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 108 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0927-0256
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