Ab initio study of superalkalis. First ionization potentials and thermodynamic stability
β Scribed by Rehm, Eva; Boldyrev, Alexander I.; Schleyer, Paul v R.
- Book ID
- 120528121
- Publisher
- American Chemical Society
- Year
- 1992
- Tongue
- English
- Weight
- 870 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0020-1669
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Equilibrium geometries of PFs (D& PF; (Oh) and PIF: (Did and Dbb) were determined on the SCF level employing extended basis sets. Total energies of anions and the corresponding neutral systems were calculated. The anions PF; and P2 FL are stable with respect to dissociation into PFs+ F-(92.6 kcal/mo
Ab initio many-body calculations according to Cederbaum's outer-valence Green-function formalism have been carried out on the ionization potentials of bicyclo[4.l.O]hepta-1,3,5-triene, bicycIo[ 4.2.0]octa-1,3,5-triene, tricyclo[ 5.1.0.03,5]octa-1,3(5),6triene, tricyclo[ 6.2.0.03,6]deca-1,3(6),7-trie
3694 1996 , and references therein, ultraviolet UV photoelectron data and ab initio molecular orbital calculations yielded information about nucleotide electronic structure Ε½ . by providing valence ionization potentials IPs of nucleotide bases and sugar model compounds. Here, model phosphate group i