𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the stability of cubic WC

✍ Scribed by Amy Y. Liu; Marvin L. Cohen

Publisher
Elsevier Science
Year
1988
Tongue
English
Volume
67
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical study of the structure and s
Theoretical study of the structure and stability of (NaCl)2+
✍ K.K. Sunil; K.D. Jordan πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 406 KB

Electron correlation effects are shown to play a major role in determining the relative stability of the various forms of (NaCl),+. The DZh form of (NaCI): is found to be 0.64 eV more stable than the C,, structure. The NaJl+ Cl complexes investigated by other researchers are found not to be potentia

Theoretical study on the stability and t
Theoretical study on the stability and the structure
✍ S. Yamabe; K. Hirao; K. Kitaura πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 243 KB

The structure of Hh(n = 3,5,7,9,11) is determined from ab initio MO cakukxtions. The result for Hi(n = 5, 7,9) obtained by energy optimization in the 4-31G and 4-31G f p basis sets is reasonably eup!ained in terms of a charge-transfer interaction from Hz to Hi\_2 site. The orientation of Hz toward t