Photoinduced double proton transfer in a model hydrogen bonded base pair. Theoretical study
✍ Scribed by J. Catalán; P. Pérez
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 520 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0022-5193
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The structures, interaction energies and proton transfer features of two water complexes, namely H402 and H50$, have been determined using density functionals, which incorporate gradient corrections and some Hartree-Fock exchange. The method is validated by comparison with the available experimental
## Abstract __Proton‐transfer reactions of the radical anion and cation of the 7‐Azaindole (7AI) dimer were investigated by means of density functional theory (DFT). The calculated results for the dimer anion and cation were very similar. Three equilibrium structures, which correspond to the non‐pr