## Abstract For Abstract see ChemInform Abstract in Full Text.
Photophysics of Eumelanin: Ab Initio Studies on the Electronic Spectroscopy and Photochemistry of 5,6-Dihydroxyindole
โ Scribed by Andrzej L. Sobolewski; Wolfgang Domcke
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 219 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The lowโlying isomers of the P~6~ species are investigated at various levels of calculations, ranging from MP2/6โ31G(d) to CCSD(T) in tripleโzeta basis set involving polarization functions up to f. In addition to the five possible normalโvalent isomers, which obey the octet rules, sever
The structure and energetics of the C H ะธ I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 Aะ and the dramatic geometry change in the CT state.
C-C bond. When the hydrogens are bent inward, they approach the nodes and their coefficients decrease. This means that CH bonding character is diminished. The opposite is true when the hydrogens are bent back. Not only additional CH but also enhanced CC bonding develops. The energy of the azu orbita