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
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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