Low valent aluminum and gallium compounds—structural variety and coordination modes to transition metal fragments

Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.6K citations

Natural Sciences, Chemistry, Physics +11

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

Computing, Computer Science, High-performance Computing +9

Auxiliary basis sets to approximate Coulomb potentials

Karin Eichkorn, Oliver Treutler, Holger Öhm et al. · Chemical Physics Letters · 1995 · 2.9K citations

Natural Sciences, Mathematics, Computational Chemistry +11

Electronic Shell Structure and Abundances of Sodium Clusters

W. D. Knight, Keith Clemenger, Walt A. de Heer et al. · Physical Review Letters · 1984 · 2.4K citations

Natural Sciences, Chemistry, Physics +9

Molecular spectra and molecular structure, iv, constants of diatomic molecules

W.J. Orville-Thomas · Journal of Molecular Structure · 1980 · 2.1K citations

Natural Sciences, Chemistry, Physics +16