CEPA calculations of potential energy surfaces for open-shell systems. V. The O2-He Van der Waals potential
- 作者R. Jaquet; V. Staemmler
- 卷第101卷
- 期第2期
- 印刷ISSN0301-0104
- 文件大小1335.33KB
- 发表时间1986
- DOI10.1016/0301-0104(86)85090-x
- 页码243-257
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