๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

ChemInform Abstract: Ab Initio Study of the Endohedral Complexes of C60, Si60, and Ge60

โœ Scribed by F. DE PROFT; C. VAN ALSENOY; P. GEERLINGS


Book ID
112036511
Publisher
John Wiley and Sons
Year
2010
Weight
27 KB
Volume
27
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


ChemInform Abstract: Study of N@C60 and
โœ A. Weidinger; B. Pietzak; M. Waiblinger; K. Lips; B. Nuber; A. Hirsch ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons โš– 26 KB ๐Ÿ‘ 1 views
Energy relationship and the polarization
โœ Xu Zhi-Jin; Zhu Chuan-Bao; Yan Ji-Min ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 641 KB

In this paper, we carry out the calculation on the system (XOCm)(X=Li, Na, K, Rb, Cs; F, C1, Br, I), where the position of X changes along 5 typical symmetry directions. For the calculation of quantum chemistry we use EHMO/ASED method, for the calculation of molecular mechanics we uee Buckingham pot