Jonas Moellmann

University of Bonn — Germany

Physics and Astronomy · Physical Sciences

8h-index2.3kcitations8works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(5), Inorganic Fluorides and Related Compounds(3), Photochemistry and Electron Transfer Studies(2), Free Radicals and Antioxidants(2), Organometallic Complex Synthesis and Catalysis(1)

Publications8 total

DFT-D3 Study of Some Molecular Crystals
The Journal of Physical Chemistry C·2014· 821 cited
Influence of Crystal Packing on an Organometallic Ruthenium(IV) Complex Structure: The Right Distance for the Right Reason
Organometallics·2013· 28 cited
A DFT-D study of structural and energetic properties of TiO<sub>2</sub>modifications
Journal of Physics Condensed Matter·2012· 72 cited
Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems
Accounts of Chemical Research·2012· 412 cited
System‐Dependent Dispersion Coefficients for the DFT‐D3 Treatment of Adsorption Processes on Ionic Surfaces
ChemPhysChem·2011· 462 cited
Importance of London dispersion effects for the packing of molecular crystals: a case study for intramolecular stacking in a bis-thiophene derivative
Physical Chemistry Chemical Physics·2010· 124 cited
Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study
Physical Chemistry Chemical Physics·2010· 152 cited
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
Physical Chemistry Chemical Physics·2009· 274 cited

Frequent Co-authors

Stefan Grimme(8), Stephan Ehrlich(3), Werner Reckien(1), Thomas Bredow(1), Lars Goerigk(1), Robert Huenerbein(1), Birgitta Schirmer(1), Ralf Tonner(1)