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Takehiro Yoshikawa and Toshiyuki Takayanagi Nonadiabatic relaxation dynamics of water anion cluster and its isotope effects by ring-polymer molecular dynamics simulation International Journal of Quantum Chemistry 114

Version of Record online: 21 FEB 2014 | DOI: 10.1002/qua.24642

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The hydrated electron is one of the simplest, yet least understood, chemical species. Theory aids experimental studies on the dynamics of hydrated electrons using a size-selected water anion cluster as the model system. The large nuclear quantum effects and isotope effects of this species are explained using a recently developed hybrid quantum ring-polymer molecular dynamics method.

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