Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

1980/01/01 by Johann Gasteiger, Mario Marsili · 4,135 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Algorithm #Atomic charge #Atomic physics #Chemistry #Computational chemistry #Crystallography and molecular interactions #Electronegativity #Equalization (audio) #Formal charge #Molecular orbital #Molecular physics #Molecule #Nonlinear Optical Materials Research #Organic chemistry #Partial charge #Physics

paper · doi:10.1016/0040-4020(80)80168-2

published in Tetrahedron 36(22), 3219-3228 (Elsevier BV)

openalex publication_date 1980/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

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