Publications by authors named "Jonas Moellmann"

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Dispersion-corrected density functional theory for aromatic interactions in complex systems.
Stephan Ehrlich, Jonas Moellmann, Stefan Grimme

Acc Chem Res· April 2013

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A DFT-D study of structural and energetic properties of TiO2 modifications.
Jonas Moellmann, Stephan Ehrlich, Ralf Tonner, Stefan Grimme

J Phys Condens Matter· October 2012

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System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces.
Stephan Ehrlich, Jonas Moellmann, Werner Reckien, Thomas Bredow, Stefan Grimme

Chemphyschem· December 2011

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Importance of London dispersion effects for the packing of molecular crystals: a case study for intramolecular stacking in a bis-thiophene derivative.
Jonas Moellmann, Stefan Grimme

Phys Chem Chem Phys· August 2010

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Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study.
Robert Huenerbein, Birgitta Schirmer, Jonas Moellmann, Stefan Grimme

Phys Chem Chem Phys· July 2010

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Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals.
Lars Goerigk, Jonas Moellmann, Stefan Grimme

Phys Chem Chem Phys· June 2009

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