The density functional theory study on the ionization potentials and electron affinities of cytosine-formamide complexes
โ Scribed by Chun-fang Su; Yan-min Li; Zheng-yu Zhou; Xiang-xiang Wang; Ke-sheng Ma
- Book ID
- 110184448
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2009
- Tongue
- English
- Weight
- 312 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0036-0244
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The ability of approximate Density Functional Theory to calculate molecular electron affinities has been probed by a series of calculations on the hydrides CH,,, NH2, OH, and HC, as well as the multibonded species CN, BO, N1, OCN, and NO,. The simple Hartree-Fock Slater scheme lacks dynamic correlat
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