Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulation
© 2014 Taylor and Francis. Dynamics simulations of excited-state multiple proton transfer (ESMPT) reactions in 7-azaindole (7AI) with ammonia, mixed water-ammonia, and water molecules were investigated by quantum dynamics simulations in the first-excited state using RI-ADC(2)/SVP-SV(P) in the gas ph...
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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=84954028112&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/54244 |
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| Institution: | Chiang Mai University |