๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A Simple Molecular Orbital Treatment of the Barrier to Internal Rotation in the Ethane Molecule

โœ Scribed by Smith, Derek W.


Book ID
121246411
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
85 KB
Volume
75
Category
Article
ISSN
0021-9584

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Gaussian molecular orbital calculations
โœ L. J. Massa; S. Ehrenson; M. Wolfsberg ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 306 KB

## Abstract Extended Gaussian orbital basis set calculations have been carried out on an assumed staggered and eclipsed classical geometrical configuration of C~2~H. The best total energies obtained for these geometries were โˆ’78.170692 a.u. and โˆ’78.170674 a.u. respectively, corresponding to a barri