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Gerald Knizia

  1. Intrinsic atomic orbitals: An unbiased bridge between quantum theory and chemical concepts
    2013/06/28 by Gerald Knizia · 1 voice · 5 citations
    Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies #physics.chem-ph
  2. A novel class of σ/π-separating orbital localization functionals
    2026/07/28 by Gerald Knizia, Elvira Sayfutyarova
    Physics and Astronomy · #physics.chem-ph