Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states |
| |
| Authors: | V.I. PechenayaV.I. Danilov |
| |
| Affiliation: | Department of Quantum Biology, Division of Molecular Biology and Genetics, Academy of Sciences of the Ukrainian SSR, Kiev, USSR |
| |
| Abstract: | Potential curves for simultaneous movement of protons in H-bonds in the ground and first excited states of the 7-azaindole dimer were calculated by the Rein-Harris method. They provide a necessary condition for the fluorescence of the dimer from its rare tautomeric form, confirmation of a postulated potential curve, and an interpretation of experimental results. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
