Ab Initio Study of the Ionization of the DNA Bases: Ionization Potentials and Excited States of the Cations
✍ Scribed by Cauët, Emilie; Dehareng, Dominique; Liévin, Jacques
- Book ID
- 120382877
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 345 KB
- Volume
- 110
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Minimal basis set SCF calculations are reported for the ground states and positive and negative ions of carbazole and trinitrofluorenone. For crrbazole, wavefunctions for several loudying excited states have also been obtained. Methods for surmounting convergence difficulties for these large system
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