2020年1月13日 · Here we report an accurate state-to-state quantum dynamics study of the F + H 2 O → HF + OH reaction on an accurate newly constructed potential energy surface. Pronounced oscillatory structures...

Here, a combined experimental and theoretical study of the dissociation dynamics of the tetra-atomic FH 2 O system is presented, providing snapshots of the F + H 2 O → HF + OH reaction.

2014年10月28日 · In this work, we investigate the HF + OH → F + H 2 O reaction, which is the reverse of the much studied F + H 2 O reaction. While this endothermic reaction has been investigated neither experimentally nor theoretically, it presents a prototype to validate the SVP model for diatom-diatom reactions.

2017年9月25日 · The reaction F + H 2 O → HF + OH is a four-atom system that provides an important benchmark for reaction dynamics. Hydrogen atom transfer at the transition state for this reaction is expected to exhibit a strong dependence on reactant vibrational excitation.

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2014年10月28日 · Strong mode specificity was found, consistent with the prediction of the sudden vector projection model. Specifically, the HF vibration strongly promotes the reaction while the OH vibration has little effect. Rotational excitations of both reactants slightly enhance the reaction.

2021年7月8日 · 近日，中国科学院院士、 中科院 大连化学物理研究所研究员张东辉、 中科院 大连化学物理研究所研究员刘舒团队在振动激发的氟+氢氘水（F + HOD）反应中发现了由化学键软化导致的动力学共振。 相关研究成果发表在《物理化学快报》上。 过去十几年间，研究人员建立了F + H 2 /HD → HF + H/D反应中共振的物理图像。 在过渡态区域，产物H/D原子和HF中的H原子之间有形成化学键的倾向，降低HF键强度或软化HF键，使HF表现出很大的非谐性，从而 …

1972年8月1日 · Electron detachment in collisions between H and F − is discussed on the basis of the calculated potential curves. Potential curves were also obtained ab initio for the three lowest excited states of NeH. These curves are qualitatively similar to those reported earlier by Slocomb, Miller, and Schaefer for HeH.

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