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Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex
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10.1063/1.2907847
/content/aip/journal/jcp/128/16/10.1063/1.2907847
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/16/10.1063/1.2907847
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Ground and excited state free energy profiles along the coordinate for the proton and deuteron transfer reactions.

Image of FIG. 2.
FIG. 2.

Adiabatic rate coefficients for the proton and deuteron transfer reactions as a function of time.

Image of FIG. 3.
FIG. 3.

vs for the proton and deuteron systems.

Image of FIG. 4.
FIG. 4.

Ground state contributions to the time dependent nonadiabatic rate coefficient for the proton and deuteron transfer reactions.

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/content/aip/journal/jcp/128/16/10.1063/1.2907847
2008-04-30
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/16/10.1063/1.2907847
10.1063/1.2907847
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