𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometries and stabilities of halo(sulphido) borons and their isomers

✍ Scribed by Suk-Ping So


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
358 KB
Volume
90
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Geometries and stabilities of various co
✍ K. Aoki; H. Fueno; S. Ikuta; O. Nomura πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 327 KB

Geometrical structures ofvariousconfonners (l-10) in HCzN were optimized by the QCISD(T) method with the D95" basis set. Relative stabilities of the singlet and triplet conformers were obtained using single-reference and multi-reference SDCI+Q methods with the general contraction scheme of the [ 5s3

The stability of cage and ring isomers f
✍ Frank Jensen πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 518 KB

Ab initio calculations, typically at the MPZ/DZP level, have in several cases shown that cage structures ofthe fullerene type are energetically favored over cyclic geometries. As this appears to be at variance with experimental findings, it is of interest to investigate whether the MPZ/DZP procedure

Theoretical studies of [n]paracyclophane
✍ F. Bockisch; J.C. Rayez; D. Liotard; B. Duguay πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 898 KB

Four semiempirical methods (AM1, MNDO, PM3, and MIND0/3) are used to calculate the deformation angles of [n]paracyclophanes and their Dewar benzene isomers for n = 3 . . . 10. The results obtained by all these methods are in good agreement with data from X-ray studies. We have determined the strain