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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Bibliografiska uppgifter
Huvudupphovsmän: Catalán, Javier, Pérez, Pilar, del Valle, Juan Carlos, de Paz, J. L. G., Kasha, Michael
Materialtyp: Artigo
Språk:Inglês
Publicerad: The National Academy of Sciences 2002
Ämnen:
Physical Sciences
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC122855/
https://ncbi.nlm.nih.gov/pubmed/11983883
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.052703899
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