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Lars Goerigk

Showing results (21-30 of 57) with videos related to

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RSC Advances|December 11, 2023
Retraction: Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer modelsAmy C Hancock, Lars Goerigk
Journal of Chemical Theory and Computation|November 20, 2015
Efficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster GeometriesLars Goerigk, Jeffrey R Reimers
The Journal of Chemical Physics|March 15, 2022
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionalsMarcos Casanova-Páez, Lars Goerigk
The Journal of Physical Chemistry. A|July 18, 2019
Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and InsightsDominique A Wappett, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP|September 24, 2024
Exploring non-covalent interactions in excited states: beyond aromatic excimer modelsAriel C Jones, Lars Goerigk
The Journal of Physical Chemistry. A|December 21, 2023
Exploring CPS-Extrapolated DLPNO-CCSD(T<sub>1</sub>) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed ReactionsDominique A Wappett, Lars Goerigk
Journal of Computational Chemistry|July 3, 2015
On the inclusion of post-MP2 contributions to double-hybrid density functionalsBun Chan, Lars Goerigk, Leo Radom
Physical Chemistry Chemical Physics : PCCP|May 29, 2009
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionalsLars Goerigk, Jonas Moellmann, Stefan Grimme
Journal of Computational Chemistry|March 4, 2011
Effect of the damping function in dispersion corrected density functional theoryStefan Grimme, Stephan Ehrlich, Lars Goerigk
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 25, 2011
Benchmarking density functional methods against the S66 and S66x8 datasets for non-covalent interactionsLars Goerigk, Holger Kruse, Stefan Grimme
Pageof 6

Showing results (21-30 of 57) with videos related to

Sort By:
Pageof 6
RSC Advances|December 11, 2023
Retraction: Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer modelsAmy C Hancock, Lars Goerigk
Journal of Chemical Theory and Computation|November 20, 2015
Efficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster GeometriesLars Goerigk, Jeffrey R Reimers
The Journal of Chemical Physics|March 15, 2022
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionalsMarcos Casanova-Páez, Lars Goerigk
The Journal of Physical Chemistry. A|July 18, 2019
Toward a Quantum-Chemical Benchmark Set for Enzymatically Catalyzed Reactions: Important Steps and InsightsDominique A Wappett, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP|September 24, 2024
Exploring non-covalent interactions in excited states: beyond aromatic excimer modelsAriel C Jones, Lars Goerigk
The Journal of Physical Chemistry. A|December 21, 2023
Exploring CPS-Extrapolated DLPNO-CCSD(T<sub>1</sub>) Reference Values for Benchmarking DFT Methods on Enzymatically Catalyzed ReactionsDominique A Wappett, Lars Goerigk
Journal of Computational Chemistry|July 3, 2015
On the inclusion of post-MP2 contributions to double-hybrid density functionalsBun Chan, Lars Goerigk, Leo Radom
Physical Chemistry Chemical Physics : PCCP|May 29, 2009
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionalsLars Goerigk, Jonas Moellmann, Stefan Grimme
Journal of Computational Chemistry|March 4, 2011
Effect of the damping function in dispersion corrected density functional theoryStefan Grimme, Stephan Ehrlich, Lars Goerigk
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 25, 2011
Benchmarking density functional methods against the S66 and S66x8 datasets for non-covalent interactionsLars Goerigk, Holger Kruse, Stefan Grimme
Pageof 6