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Molecular Dynamic Investigation of HN2ON a Potential Energy Surface Designed by Lie Algebra Method

  • STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY
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Abstract

We have applied time dependent Schrodinger equation on Lie algebra potential surface (LPES) representing the ground electronic potentials of the collinear HN2 reaction. The algebraic method especially Lie algebra used to generate the Surface and the contour plot of the reaction H + HN2 → HN2 potential surface. The Lie surface generated reproduces more fine results for the life time. The structure is found to be metastable. The novel reaction dynamics are examined in femtosecond time scale

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Authors and Affiliations

  1. Physics Department, Faculty of Science, Ain Shams University, Cairo, Egypt

    Ali H. Moussa, M. Shalaby & H. Talaat

  2. Theoretical Physics Department, National Research Center, Giza, Dokki, Egypt

    El-Wallid S. Sedik & M. Tag El-Din Kamal

Authors
  1. Ali H. Moussa
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  2. M. Shalaby
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  3. El-Wallid S. Sedik
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  4. M. Tag El-Din Kamal
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  5. H. Talaat
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Correspondence to El-Wallid S. Sedik.

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Moussa, A.H., Shalaby, M., Sedik, EW.S. et al. Molecular Dynamic Investigation of HN2ON a Potential Energy Surface Designed by Lie Algebra Method. Russ. J. Phys. Chem. B 16, 572–578 (2022). https://doi.org/10.1134/S1990793122040133

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  • DOI: https://doi.org/10.1134/S1990793122040133

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