Michael Bär

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.4K citations

Physical Design (Electronics), Program System Turbomole, Engineering +13

The stability of PN and (PN)3. Ab initio calculations and matrix infrared investigations

Reinhart Ahlrichs, Michael Bär, Harald S. Plitt et al. · Chemical Physics Letters · 1989 · 49 citations

Engineering, Matrix Infrared Investigations, Physics +11

[Cu(η²‐H₂)Cl], a Model Compound for H₂ Complexes. Ab Initio Calculations and Identification by IR Spectroscopy

Harald S. Plitt, Michael Bär, Reinhart Ahlrichs et al. · Angewandte Chemie International Edition in English · 1991 · 40 citations

Engineering, Theoretical Inorganic Chemistry, Molecular Biology +18

Ab initio study of structure, stability and ionization potentials of the anions PF−6 and P2F−11

Christoph Kölmel, Gottfried J. Palm, Reinhart Ahlrichs et al. · Chemical Physics Letters · 1990 · 40 citations

Inorganic Chemistry, Engineering, Physics +10

Nonempirical direct SCF calculations on sodalite and double six-ring models of SiO2 and AlPO4 minerals: H24Si24O60, H12Si12O30, H12Al6P6O30

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 28 citations

Materials Science, Inorganic Chemistry, Rare Earth Mineral +8