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Ab Initio Calculations of the Structure and Properties of Large Atomic Clusters

✍ Scribed by Jones, R.


Book ID
126666783
Publisher
Taylor and Francis Group
Year
1989
Tongue
English
Weight
590 KB
Volume
4
Category
Article
ISSN
0892-7022

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Ab initio structure calculations of hydr
✍ M. Farizon; B. Farizon-Mazuy; N.V. de Castro Faria; H. Chermette πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 518 KB

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