Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer
© 2014, Springer-Verlag Berlin Heidelberg. The structure of 7-azaindole dimer (7AI 2 ) as a model compound for DNA base pair has been studied by classical molecular dynamics (MD) and path integral molecular dynamics (PIMD) simulations on the semi-empirical PM6 potential energy surface at various tem...
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| Main Authors: | , , , |
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| 格式: | 雜誌 |
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2018
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84940879870&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/44979 |
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