He(I)/He(II) ultraviolet photoelectron spectroscopic studies on organosulfur compounds with emphasis on the sulfur–oxygen interaction

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

Engineering, Altmetric Attention Score, Molecular Biology +18

Fully optimized contracted Gaussian basis sets for atoms Li to Kr

Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.5K citations

Mathematical Programming, Engineering, Gaussian Basis Sets +20

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

Improvements on the direct SCF method

Marco Häser, Reinhart Ahlrichs · Journal of Computational Chemistry · 1989 · 964 citations

Mathematical Programming, Numerical Analysis, Engineering +16

The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

Géza Fogarasi, Xuefeng Zhou, Patterson W. Taylor et al. · Journal of the American Chemical Society · 1992 · 943 citations

Engineering, Altmetric Attention Score, Bibliometrics +22