Some methods and applications of electron density distribution analysis
β Scribed by James P. Ritchie; Steven M. Bachrach
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 986 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Theoretical studies of the electron density topology at the bond critical point for some small molecules, Ti, and Mo organometallic complexes were undertaken in order to understand the reason for the failure of the topological analysis of the coreless electron densities obtained from a pseudopotenti
Two kinds of electron densities for several small molecules (H(2), FH, CH(3)CH(3), CH(3)NH(2), CH(3)OH, and CH(3)F) have been generated for a wide range of bond distances. The first one, as the sum of the electron density of the isolated fragments, and the second one by optimizing the electron densi