Semiempirical AM1 studies on phycocyanobilin, the most abundant chromophore in the light-harvesting phycobiliproteins and a suitable model of the phytochrome chromophore, have been carried out. For the all-Z isomer, the structures and energies of all possible conformers, which arise from rotation ab
An AM1 semiempirical study of longitudinal twisting in PAH and CPAH
β Scribed by L Kraig Steffen; Ching Kong; Mike Papagikos
- Book ID
- 114142667
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 207 KB
- Volume
- 419
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Semiempirical AM1 calculations have been carried out on host-guest complexes of model hemicarcerands 1a and 2a. The justification for the choice of the AM1 Hamiltonian was based on a comparison between reported X-ray data for the smaller tetrabromocavitand 4a and computational results obtained using
The recent NMDO/M modification and parameterization of the MNDO molecular orbital method has been used to analyze intermolecular hydrogen bonding between amino acids and water, and intramolecular hydrogen bonding in monosaccharides. The results have been compared to AM1 calculations on the same syst