1968/09/01 by H. Preuß · 2 citations
Physics and Astronomy · Biochemistry, Genetics and Molecular Biology · Materials Science · #Advanced Chemical Physics Studies #Electron Spin Resonance Studies #Magnetism in coordination complexes
paper · doi:10.1002/qua.560020506
openalex publication_date 1968/09/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22
Abstract A modification of the SCF – MO – LCGO method is proposed in the form of a qualitative ab initio method. Naphthalene is treated as a test case; good agreement between calculated and experiemental results is obtained. The capabilities of the method for quantum‐chemical calculations are discussed.