Publications

Journal Article (3)

2009
Journal Article
Neese, F.; Hansen, A.; Wennmohs, F.; Grimme, S. Accurate Theoretical Chemistry with Coupled Pair Models. Accounts of Chemical Research 2009, 42, 641–648.
Journal Article
Neese, F.; Wennmohs, F.; Hansen, A. Efficient and Accurate Local Approximations to Coupled-Electron Pair Approaches: An Attempt to Revive the Pair Natural Orbital Method. The Journal of Chemical Physics 2009, 130.
Journal Article
Neese, F.; Wennmohs, F.; Hansen, A.; Becker, U. Efficient, Approximate and Parallel Hartree–Fock and Hybrid DFT Calculations. A ‘Chain-of-Spheres’ Algorithm for the Hartree–Fock Exchange. Chemical Physics 2009, 356, 98–109.

Book Chapter (1)

2009
Book Chapter
Sundararajan, M.; Riplinger, C.; Orio, M.; Wennmohs, F.; Neese, F. Spectroscopic Properties of Protein‐Bound Cofactors: Calculation by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches. In Encyclopedia of Inorganic Chemistry; John Wiley & Sons: Hoboken, 2009.
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