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Chemische Bindung anschaulich: PopulationsanalysenProf. Dr. rer. nat. Reinhart Ahlrichs; Claus Ehrhardt · 1985
Structure and bonding in simple thiazyl compoundsClaus Ehrhardt; Reinhart Ahlrichs · 1986
Theoretical investigations on NSR3 molecules and their isomersClaus Ehrhardt; Reinhart Ahlrichs · 1986
Implementation of an electronic structure program system on the CYBER 205Reinhart Ahlrichs; Hans-Joachim Böhm; Claus Ehrhardt; Peter Scharf; Heinz Schiffer; Hans Lischka; Michael Schindler · 1985
Theoretical study of the stability of molecular P2, P4 (T.alpha.), and P8 (Oh)Ahlrichs, Reinhart; Brode, Stefan; Ehrhardt, Claus · Journal of the American Chemical Society · 1985
The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functionalAhlrichs, Reinhart; Scharf, Peter; Ehrhardt, Claus · The Journal of Chemical Physics · 1985
Population analysis based on occupation numbers II. Relationship between shared electron numbers and bond energies and characterization of hypervalent contributionsClaus Ehrhardt; Reinhart Ahlrichs · 1985