The concerted mechanism of photo-induced biprotonic transfer in 7-azaindole dimers: Structure, quantum-theoretical analysis, and simultaneity principles
Six stable dimer models for 7-azaindole (including the classic C(2h) doubly hydrogen-bonded, coplanar, centrosymmetric dimer) are considered to be observable in adiabatic nozzle jet molecular beams. They are analyzed by hybrid density functional theory (DFT), the MP2 ab initio method for the ground...
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| Vydáno v: | Proc Natl Acad Sci U S A |
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| Hlavní autoři: | , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2002
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC122855/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11983883/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.052703899 |
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