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Physical Chemistry Chemical Physics : PCCP
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July 7, 2010
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
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
Lars Goerigk, Jonas Moellmann, Stefan Grimme
Accounts of Chemical Research
|
June 19, 2012
Dispersion-corrected density functional theory for aromatic interactions in complex systems
Stephan Ehrlich, Jonas Moellmann, Stefan Grimme
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modifications
Jonas Moellmann, Stephan Ehrlich, Ralf Tonner, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2010
Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study
Robert Huenerbein, Birgitta Schirmer, Jonas Moellmann, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 21, 2011
System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces
Stephan Ehrlich, Jonas Moellmann, Werner Reckien, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2010
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
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
Lars Goerigk, Jonas Moellmann, Stefan Grimme
Accounts of Chemical Research
|
June 19, 2012
Dispersion-corrected density functional theory for aromatic interactions in complex systems
Stephan Ehrlich, Jonas Moellmann, Stefan Grimme
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modifications
Jonas Moellmann, Stephan Ehrlich, Ralf Tonner, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2010
Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study
Robert Huenerbein, Birgitta Schirmer, Jonas Moellmann, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 21, 2011
System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces
Stephan Ehrlich, Jonas Moellmann, Werner Reckien, et al.
Page
of 1