Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water–ammonia: microsolvated dynamics simulation
© 2014 Taylor & 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 p...
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| Main Authors: | , , |
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| Format: | Article |
| Published: |
Taylor and Francis Ltd.
2015
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| Subjects: | |
| Online Access: | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84908582466&origin=inward http://cmuir.cmu.ac.th/handle/6653943832/38793 |
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| Institution: | Chiang Mai University |