Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)<inf>n</inf>(n = 1-3) clusters in the gas phase: On-the-fly dynamics simulation
Ultrafast excited-state intermolecular proton transfer (PT) reactions in 7-azaindole(methanol)n(n = 1-3) [7AI(MeOH)n=1-3] complexes were performed using dynamics simulations. These complexes were first optimized at the RI-ADC(2)/SVP-SV(P) level in the gas phase. The ground-state structures with the...
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| Main Authors: | , , , , , |
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| Format: | Journal |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=83455201781&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/49805 |
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| Institution: | Chiang Mai University |