𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electronic structure of C60 and C70 molecules: Generating function approach

✍ Scribed by J.Q. You; Franco Nori; Y.-L. Lin


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
326 KB
Volume
91
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Semiempirical vibrational and electronic
✍ James J. P. Stewart; Michael B. Coolidge πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 498 KB

The electronic and vibrational structures of C,, and C,,, have been calculated at the PM3 semiempirical level. C, has a partially delocalized structure, while C,, has both a localized set and a delocalized set of MOs. As with AM1 and MNDO, PM3 predicts the heat of formation of C,, to be greater than

Electronic structures of the icosahedral
✍ Jerzy Cioslowski πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 411 KB

Electronic structures of the icosahedral C&H,,, hydrocarbon and its perfhroro analog, C6nF6,,, are examined at the HF/4-31G and HF/6-3 lG\*\* levels. The calculated C-C bond lengths are as large as 1.57 A in C63Hb0 and 1.63 A in CbDF60. The bond lengthening is attributed to the H-H and F-F steric in

Electronic structure and optical propert
✍ D. Γ–stling; A. RosΓ©n πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 749 KB

Ground state electronic structures of C60 and metal coated C60, modeled with the clusters Lil2C60 and Li32C60, are analyzed within the local density functional approximation. The low-energy part of the linear-response spectra of a bare C60, LilECa~ and Li3zC60 is also studied. The Kohn-Sham molecula

Structure and electronic state of Cβˆ’60
✍ Kazuyoshi Tanaka; Mayumi Okada; Kenji Okahara; Tokio Yamabe πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 236 KB