Christoph Kölmel

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

Incorporation of solvent effects into density functional calculations of molecular energies and geometries

Jan Andzelm, Christoph Kölmel, Andreas Klamt · The Journal of Chemical Physics · 1995 · 848 citations

Engineering, Molecular Energies, Computational Chemistry +17

Brønsted sites in zeolitic catalysts. An ab initio study of local geometries and of the barrier for proton jumps between neighbouring sites

Joachim Sauer, Christoph Kölmel, Jörg‐Rüdiger Hill et al. · Chemical Physics Letters · 1989 · 63 citations

Engineering, Physics, Zeolitic Catalysts +11

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