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• W1978383896 endingPage "2721" @default.
• W1978383896 startingPage "2718" @default.
• W1978383896 abstract "We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density functional theory calculations, we show that the increase of the sticking probability with decreasing kinetic energy at low kinetic energies in the system ${mathrm{H}}_{2}/mathrm{Pd}(100)$, which is usually attributed to the existence of a molecular adsorption state, is due to dynamical steering. In addition, we examine the influence of rotational motion and orientation of the hydrogen molecule on adsorption and desorption." @default.
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• W1978383896 date "1995-10-02" @default.
• W1978383896 modified "2023-09-26" @default.
• W1978383896 title "Six-Dimensional Quantum Dynamics of Adsorption and Desorption of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>at Pd(100): Steering and Steric Effects" @default.
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• W1978383896 doi "https://doi.org/10.1103/physrevlett.75.2718" @default.
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