𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum chemical calculations on the buckminsterfullerene (C60) system

✍ Scribed by G. Endredi; J. Ladik


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
719 KB
Volume
300
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Quantum-chemical investigation of Buckmi
✍ Jikang Feng; Jun Li; Zhizhong Wang; Michael C. Zerner πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 314 KB

## Abstract The electronic structure of __C__~60~ cages are examined by use of the INDO and INDO/CI methods. The calculated spectrum of Buckminsterfullerene has one allowed low‐lying band at 27,300 cm^βˆ’1^, to be compared with an experimental value of 25,900 cm^βˆ’1^. These calculations suggest that o

Quantum chemical calculations on thiorid
✍ Joyce J. Kaufman; Ellen Kerman πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 359 KB

## Abstract Quantum chemical CNDO/2 calculations for the conformational preference of the side chain of thioridazine as a function of angle indicated the crystallographically determined structure gave the lowest energy. There is also a small region of conformational flexibility within the first 90Β°