Simone Koßmann

1. Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations
   2015/03/25 by Dmytro Bykov, Taras Petrenko, Róbert Izsák +6 · 12 citations
   Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · Materials Science · #Electron Spin Resonance Studies #Advanced Chemical Physics Studies #Magnetism in coordination complexes
2. Performance of modern density functional theory for the prediction of hyperfine structure: meta-GGA and double hybrid functionals
   2007/08/10 by Simone Koßmann, Simone Kossmann, Barbara Kirchner +1 · 1 citation
   Chemistry · Physics and Astronomy · #Free Radicals and Antioxidants #Advanced Chemical Physics Studies #Photochemistry and Electron Transfer Studies