Quantum calculations of the photoelectron spectra of the OH·NH anion: implications for OH + NH → HO + NH reaction dynamics

We present the results of quantum dynamics calculations for analyzing the experimentally measured photoelectron spectra of the OH − ·NH 3 anion complex. Detachment of an excess electron of OH − ·NH 3 initially produces a molecular arrangement, which is close to the transition-state structure of the...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-03, Vol.23 (11), p.695-6958
Hauptverfasser:	Saito, Kohei, Sugiura, Yutaro, Miyazaki, Takaaki, Takahashi, Yukinobu, Takayanagi, Toshiyuki
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