𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of a conjugated aromatic molecular wire

✍ Scribed by Davood Farmanzadeh; Zeinab Ashtiani

Publisher
Springer
Year
2010
Tongue
English
Weight
518 KB
Volume
21
Category
Article
ISSN
1040-0400

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical study of carotene as a molec
Theoretical study of carotene as a molecular wire
✍ Jun Li; John K. Tomfohr; Otto F. Sankey πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 185 KB

Carotenoid molecules have important photo-chemical properties and may serve as molecular wires in a molecular electronic circuit. We have theoretically studied the intrinsic conducting properties of sulfur-terminated carotene between gold contacts using local orbital density functional theory. The d

Noncovalent modification of carbon nanot
Noncovalent modification of carbon nanotubes by conjugated polymer: A theoretical study
✍ Y. J. Wang πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 233 KB

## Abstract The energetic and optical properties of (n, n) carbon nanotubes (CNTs) for __n__ = 3–11 noncovalently modified with poly(phenylenethynylene) (PPE) were studied using a density‐functional tight‐binding method. The binding energies between the PPE and (n, n) CNTs were found increasing wit

A theoretical study of aromaticity in sq
A theoretical study of aromaticity in squaramide and oxocarbons
✍ David QuiΓ±onero; Antonio Frontera; Pau Ballester; Pere M DeyΓ  * πŸ“‚ Article πŸ“… 2000 πŸ› Elsevier Science 🌐 French βš– 471 KB

A systematic estimation of aromaticity in oxocarbon acids, their dianions, squaramide and its complex with the ammonium cation have been studied using structural and magnetic criteria. Results based on Nucleus Independent Chemical Shift (NICS) predict that deltic and squaric acids and their dianions