Absolute acidities and site specific properties of zeolite catalysts modelled by advanced computational chemistry technology

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

Performance of parallel TURBOMOLE for density functional calculations

Malte von Arnim, Reinhart Ahlrichs · Journal of Computational Chemistry · 1998 · 512 citations

Computing, High-performance Computing, Computational Chemistry +8

Performance of parallel TURBOMOLE for density functional calculations

Malte von Arnim, Reinhart Ahlrichs · Journal of Computational Chemistry · 1998 · 475 citations

Computing, High-performance Computing, Computational Chemistry +8

Study of the Acid–Base Properties of Heterogeneous Catalysts by Infrared Spectroscopy

Evgenii A. Paukshtis, É. N. Yurchenko · Russian Chemical Reviews · 1983 · 335 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Interaction of methanol with Broensted acid sites of zeolite catalysts: an ab initio study

Frank Haase, Joachim Sauer · Journal of the American Chemical Society · 1995 · 271 citations

Natural Sciences, Chemistry, Materials Science +12