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Computational Study of Complexation in LiH:nNH3 (n = 1-4) Clusters: An Interplay Among Hydrogen, Dihydrogen,

Krishna1, Lalit Kumar Saini1, Mukesh Pandey2

  • 1Department of Physics, Sardar Vallabhbhai National Institute of Technology, Surat, India.

Journal of Computational Chemistry
|April 19, 2025
PubMed

Keywords:
ComplexationMany‐body energy decomposition analysisMolecular clustersSemi‐empirical quantum chemistry methods

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