The electronic structure of polyfluorinated carbonyl compounds and correlation with ir spectra and reactivity
โ Scribed by V.P. Zhukov; V.A. Gubanov
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 367 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The allโvalenceโelectron CNDO/2 calculations were performed for the three isomeric nitrophenols. Using the newly derived ฯโcore charges and subsequently revising the valenceโstate ionization potentials and oneโcenter twoโelectron repulsion integrals, PariserโParrโPople (PPP) CI calculat
The integrated molecular transform FT has been used for the m correlation of the structures of organic molecules with their physicochemical, thermodynamic, and pharmacological properties; it is also an excellent conformation index and functions as a discriminator of classical chemical structure type