Ab initio calculations have been carried out for the T(3B,u) and V('BIu) states of ethylene in a planar nuclear conf@ration. A "double-zeta" gaussian basis, augmented by diffuse functions, was used. A wide variety of configuration interaction wavefunctions (including as many as 1605 configurations)
The location of the lowest n–π* excited states in nucleic acid bases
✍ Scribed by J. Lipínski
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 266 KB
- Volume
- 45
- Category
- Article
- ISSN
- 1386-1425
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