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The Journal of Chemical Physics
|
September 4, 2009
On the calculation of general response properties in subsystem density functional theory
Johannes Neugebauer
Angewandte Chemie (International Ed. in English)
|
September 22, 2007
Induced chirality in achiral media-how theory unravels mysterious solvent effects
Johannes Neugebauer
The Journal of Physical Chemistry. B
|
February 1, 2008
Photophysical properties of natural light-harvesting complexes studied by subsystem density functional theory
Johannes Neugebauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2009
Subsystem-based theoretical spectroscopy of biomolecules and biomolecular assemblies
Johannes Neugebauer
The Journal of Chemical Physics
|
April 14, 2007
Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory
Johannes Neugebauer
The Journal of Chemical Physics
|
November 9, 2010
State-selective optimization of local excited electronic states in extended systems
Arseny Kovyrshin, Johannes Neugebauer
Journal of Computational Chemistry
|
January 22, 2004
Vibrational center-ligand couplings in transition metal complexes
Johannes Neugebauer, Markus Reiher
The Journal of Chemical Physics
|
May 17, 2019
Automatic basis-set adaptation in projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
October 10, 2019
Erratum: "Automatic basis-set adaptation in projection-based embedding" [J. Chem. Phys. 150, 184104 (2019)]
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
December 24, 2011
Modelling charge transfer reactions with the frozen density embedding formalism
Michele Pavanello, Johannes Neugebauer
Page
of 17
Search research articles
Search
Showing results (1-10 of 169) with videos related to
Sort By:
Page
of 17
The Journal of Chemical Physics
|
September 4, 2009
On the calculation of general response properties in subsystem density functional theory
Johannes Neugebauer
Angewandte Chemie (International Ed. in English)
|
September 22, 2007
Induced chirality in achiral media-how theory unravels mysterious solvent effects
Johannes Neugebauer
The Journal of Physical Chemistry. B
|
February 1, 2008
Photophysical properties of natural light-harvesting complexes studied by subsystem density functional theory
Johannes Neugebauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2009
Subsystem-based theoretical spectroscopy of biomolecules and biomolecular assemblies
Johannes Neugebauer
The Journal of Chemical Physics
|
April 14, 2007
Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory
Johannes Neugebauer
The Journal of Chemical Physics
|
November 9, 2010
State-selective optimization of local excited electronic states in extended systems
Arseny Kovyrshin, Johannes Neugebauer
Journal of Computational Chemistry
|
January 22, 2004
Vibrational center-ligand couplings in transition metal complexes
Johannes Neugebauer, Markus Reiher
The Journal of Chemical Physics
|
May 17, 2019
Automatic basis-set adaptation in projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
October 10, 2019
Erratum: "Automatic basis-set adaptation in projection-based embedding" [J. Chem. Phys. 150, 184104 (2019)]
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
December 24, 2011
Modelling charge transfer reactions with the frozen density embedding formalism
Michele Pavanello, Johannes Neugebauer
Page
of 17