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Stephan Ehrlich

Showing results (1-10 of 9) with videos related to

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Journal of Computational Chemistry|March 4, 2011
Effect of the damping function in dispersion corrected density functional theoryStefan Grimme, Stephan Ehrlich, Lars Goerigk
Accounts of Chemical Research|June 19, 2012
Dispersion-corrected density functional theory for aromatic interactions in complex systemsStephan Ehrlich, Jonas Moellmann, Stefan Grimme
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 31, 2017
Towards full Quantum-Mechanics-based Protein-Ligand Binding AffinitiesStephan Ehrlich, Andreas H Göller, Stefan Grimme
The Journal of Chemical Physics|April 29, 2010
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuStefan Grimme, Jens Antony, Stephan Ehrlich, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modificationsJonas Moellmann, Stephan Ehrlich, Ralf Tonner, 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 surfacesStephan Ehrlich, Jonas Moellmann, Werner Reckien, et al.
Physical Chemistry Chemical Physics : PCCP|November 8, 2017
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactionsLars Goerigk, Andreas Hansen, Christoph Bauer, et al.
Chemical Communications (Cambridge, England)|October 9, 2012
Splitting of dihydrogen by five-membered zirconacycloallenoids: a novel pathway to conjugated diene zirconocene complexesGeorg Bender, Gerald Kehr, Constantin G Daniliuc, et al.
Journal of Chemical Theory and Computation|September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic ReactionsLeif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of Computational Chemistry|March 4, 2011
Effect of the damping function in dispersion corrected density functional theoryStefan Grimme, Stephan Ehrlich, Lars Goerigk
Accounts of Chemical Research|June 19, 2012
Dispersion-corrected density functional theory for aromatic interactions in complex systemsStephan Ehrlich, Jonas Moellmann, Stefan Grimme
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 31, 2017
Towards full Quantum-Mechanics-based Protein-Ligand Binding AffinitiesStephan Ehrlich, Andreas H Göller, Stefan Grimme
The Journal of Chemical Physics|April 29, 2010
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuStefan Grimme, Jens Antony, Stephan Ehrlich, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modificationsJonas Moellmann, Stephan Ehrlich, Ralf Tonner, 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 surfacesStephan Ehrlich, Jonas Moellmann, Werner Reckien, et al.
Physical Chemistry Chemical Physics : PCCP|November 8, 2017
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactionsLars Goerigk, Andreas Hansen, Christoph Bauer, et al.
Chemical Communications (Cambridge, England)|October 9, 2012
Splitting of dihydrogen by five-membered zirconacycloallenoids: a novel pathway to conjugated diene zirconocene complexesGeorg Bender, Gerald Kehr, Constantin G Daniliuc, et al.
Journal of Chemical Theory and Computation|September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic ReactionsLeif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
Pageof 1