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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
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フェノルの光解離ダイナミクス:トンネル掘削を含む多状態軌道シミュレーション

Xuefei Xu1, Jingjing Zheng, Ke R Yang

  • 1Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota , Minneapolis, Minnesota 55455-0431, United States.

Journal of the American Chemical Society
|October 29, 2014
PubMed
まとめ

フェノール光解離はトンネリングによって支配され,複数の状態の軌道のシミュレーションによって確認されています. 予期せぬ経路は,S1状態のより小さなO-H結合距離からトンネルを掘るというものです.

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