๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Electronic structures of C82 fullerene isomers

โœ Scribed by X.Q. Wang; C.Z. Wang; B.L. Zhang; K.M. Ho


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
461 KB
Volume
217
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Electronic structures of mono-anionized
โœ Mayumi Okada; Kenji Okahara; Kazuyoshi Tanaka; Tokio Yamabe ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 616 KB

The electronic structures of mono-anionized higher fullerenes (C,, C,, C, and C, ) associated with the major experimental product have been investigated bused on their optimized structures employing the semi-empirical (MIND0/3) molecular orbital calculations. Not a very drastic structural change has

The Existence of Stable Tm@C82 Isomers
โœ Dipl.-Chem. Uwe Kirbach; Dr. Lothar Dunsch ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 507 KB
Geometries and electronic structure of e
โœ Susumu Okada; Susumu Saito ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 643 KB

We study geometries and the electronic structure of C90 fullerenes which possess the experimentally observed symmetries CI, C2, and C2v for C90 isomers extracted from soot but presently unidentified. We use the empirical model potential for the structural optimization of these fullerenes. Then, thei

Quantum-chemical study of C78 fullerene
โœ Dirk Bakowies; Achim Gelessus; Walter Thiel ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 462 KB

Semi-empirical and ab initio calculations are reported for the five Crs fullerenes with isolated pentagons. The optimized geometries and relative stabilities are discussed. The D3s structure previously favored on the basis of simple Hilckel arguments is found to be the least stable isomer at all the