Gerald Knizia
- 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
- A novel class of σ/π-separating orbital localization functionals
2026/07/28 by Gerald Knizia, Elvira Sayfutyarova
Physics and Astronomy · #physics.chem-ph