Effect of high coverages on proton transfer in the zeolite/water system

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

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Ab initio molecular orbital theory

Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Improvements on the direct SCF method

Marco Häser, Reinhart Ahlrichs · Journal of Computational Chemistry · 1989 · 973 citations

Natural Sciences, Computer Science, High-performance Computing +10

Principles for a direct <scp>SCF</scp> approach to <scp>LICAO</scp>–<scp>MO</scp><i>ab</i>‐<i>initio</i> calculations

Knut Korsell · Journal of Computational Chemistry · 1982 · 729 citations

Natural Sciences, Chemistry, Physics +10