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Simone Kossmann

Showing results (1-10 of 10) with videos related to

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Journal of Chemical Theory and Computation|November 28, 2015
Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 MethodSimone Kossmann, Frank Neese
The Journal of Physical Chemistry. A|October 12, 2010
Correlated ab initio spin densities for larger molecules: orbital-optimized spin-component-scaled MP2 methodSimone Kossmann, Frank Neese
The Journal of Chemical Physics|March 22, 2013
Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller-Plesset perturbation theory and the second-order Douglas-Kroll-Hess transformationBarbara Sandhoefer, Simone Kossmann, Frank Neese
The Journal of Chemical Physics|February 10, 2011
Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelizationTaras Petrenko, Simone Kossmann, Frank Neese
Journal of the American Chemical Society|March 11, 2008
2,3,5,6-Tetrafluorophenylnitren-4-yl: electron paramagnetic resonance spectroscopic characterization of a quartet-ground-state nitreno radicalWolfram Sander, Dirk Grote, Simone Kossmann, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 17, 2010
3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradicalDirk Grote, Christopher Finke, Simone Kossmann, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and KineticsFrank Neese, Tobias Schwabe, Simone Kossmann, et al.
The Journal of Chemical Physics|May 13, 2006
Cooperativity in ionic liquidsSimone Kossmann, Jens Thar, Barbara Kirchner, et al.
Journal of the American Chemical Society|December 18, 2014
Hydrogen bond network between amino acid radical intermediates on the proton-coupled electron transfer pathway of E. coli α2 ribonucleotide reductaseThomas U Nick, Wankyu Lee, Simone Kossmann, et al.
The Journal of Physical Chemistry. B|April 21, 2007
Choline saccharinate and choline acesulfamate: ionic liquids with low toxicitiesPeter Nockemann, Ben Thijs, Kris Driesen, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|November 28, 2015
Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 MethodSimone Kossmann, Frank Neese
The Journal of Physical Chemistry. A|October 12, 2010
Correlated ab initio spin densities for larger molecules: orbital-optimized spin-component-scaled MP2 methodSimone Kossmann, Frank Neese
The Journal of Chemical Physics|March 22, 2013
Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller-Plesset perturbation theory and the second-order Douglas-Kroll-Hess transformationBarbara Sandhoefer, Simone Kossmann, Frank Neese
The Journal of Chemical Physics|February 10, 2011
Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelizationTaras Petrenko, Simone Kossmann, Frank Neese
Journal of the American Chemical Society|March 11, 2008
2,3,5,6-Tetrafluorophenylnitren-4-yl: electron paramagnetic resonance spectroscopic characterization of a quartet-ground-state nitreno radicalWolfram Sander, Dirk Grote, Simone Kossmann, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 17, 2010
3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradicalDirk Grote, Christopher Finke, Simone Kossmann, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and KineticsFrank Neese, Tobias Schwabe, Simone Kossmann, et al.
The Journal of Chemical Physics|May 13, 2006
Cooperativity in ionic liquidsSimone Kossmann, Jens Thar, Barbara Kirchner, et al.
Journal of the American Chemical Society|December 18, 2014
Hydrogen bond network between amino acid radical intermediates on the proton-coupled electron transfer pathway of E. coli α2 ribonucleotide reductaseThomas U Nick, Wankyu Lee, Simone Kossmann, et al.
The Journal of Physical Chemistry. B|April 21, 2007
Choline saccharinate and choline acesulfamate: ionic liquids with low toxicitiesPeter Nockemann, Ben Thijs, Kris Driesen, et al.
Pageof 1