𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometries, electronic structures and energetics of small-diameter single-walled carbon nanotubes

✍ Scribed by Koichiro Kato; Susumu Saito


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
339 KB
Volume
43
Category
Article
ISSN
1386-9477

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


DFT calculation of structures and NMR ch
✍ Teobald Kupka; MichaΕ‚ StachΓ³w; Marzena Nieradka; Leszek StobiΕ„ski πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 497 KB

## Abstract Linearly conjugated benzene rings (acenes), belt‐shape molecules (cyclic acenes) and model single wall carbon nanotubes (SWCNTs) were fully optimized at the unrestricted level of density functional theory (UB3LYP/6‐31G\*). The models of SWCNTs were selected to get some insight into the

Structures and Electronic Properties of
✍ Yang Bao-Hua; Wang Yang; Huang Yuan-He πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 221 KB πŸ‘ 1 views

## Abstract The structures and electronic properties for C~36~ encapsulated in four single‐wall armchair carbon nanotubes (C~36~@(__n__,__n__), __n__=6‐9) were calculated using ab initio self‐consistent field crystal orbital method based on density functional theory. The calculations show that the