Theoretical study of the photodimerization of pyrimidine bases
โ Scribed by J. Bertran
- Publisher
- Springer
- Year
- 1972
- Tongue
- English
- Weight
- 528 KB
- Volume
- 25
- Category
- Article
- ISSN
- 1432-2234
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## Abstract The semiempirical MINDO/3 method with complete optimization of geometry is employed to calculate the electronic groundโstate properties (dipole moments and ionization potentials) and the energies of various tautomeric forms of uracil, uracil monoanion, cytosine, and isocytosine. The res
## Abstract Excited ฯโelectronic states of cytosine and uracil are calculated by the CI method. The effects of a transition from the singleโexcited configuration set to the set involving all doubleโexcited configurations are considered. The set expansion is shown to affect essentially the transitio