Publikationen

Zeitschriftenartikel (3)

2009
Zeitschriftenartikel
Neese, F.; Hansen, A.; Wennmohs, F.; Grimme, S. Accurate Theoretical Chemistry with Coupled Pair Models. Accounts of Chemical Research 2009, 42, 641–648.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.

Buchkapitel (1)

2009
Buchkapitel
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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