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Christoph Kölmel | Researchclopedia

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Christoph Kölmel

Simulations Plus (United States)

16

Works

9,537

Citations

10

h-index

10

i10-index

Research Topics

Advanced Chemical Physics Studies Zeolite Catalysis and Synthesis Catalysis and Oxidation Reactions

Affiliations

Karlsruhe Institute of Technology1988–1993

Simulations Plus (United States)1999–2001

Top Works

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs,Michael Bär,et al.

19898,450 citations

Machine Learning in Materials Science

Inorganic Fluorides and Related Compounds

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

Jan Andzelm,Christoph Kölmel,et al.

1995851 citations

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,et al.

198963 citations

Ab initio study of structure, stability and ionization potentials of the anions PF−6 and P2F−11

Christoph Kölmel,Gottfried J. Palm,et al.

199040 citations

Nonempirical direct SCF calculations on sodalite and double six-ring models of SiO2 and AlPO4 minerals: H24Si24O60, H12Si12O30, H12Al6P6O30

Reinhart Ahlrichs,Michael Bär,et al.

198928 citations

Heterogeneous catalysis: looking forward with molecular simulation

Jan Andzelm,Aileen E. Alvarado-Swaisgood,et al.

199925 citations

Accelerated approach to non-framework cation placement in crystalline materials

Alan M. Gorman,C. M. Freeman,et al.

199717 citations

The boranes B3H7 and B6H14. A theoretical investigation

Hans W. Horn,Reinhart Ahlrichs,et al.

198817 citations

Ab Initio Embedded Cluster Study of <i>F </i>and <i>M</i> Centers in LiF

Christoph Kölmel,Carl S. Ewig

200113 citations