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

1980/01/01 by Johann Gasteiger, Mario Marsili · 21 citations
Materials Science · Chemistry · Physics and Astronomy · #Nonlinear Optical Materials Research #Crystallography and molecular interactions #Advanced Chemical Physics Studies

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

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