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Journal of Chemical Theory and Computation
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August 8, 2018
Analytical Nuclear Excited-State Gradients for the Second-Order Approximate Coupled-Cluster Singles and Doubles (CC2) Method Employing Uncoupled Frozen-Density Embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
January 26, 2016
Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients
Johannes Heuser, Sebastian Höfener
The Journal of Chemical Physics
|
April 16, 2018
Communication: Biological applications of coupled-cluster frozen-density embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
August 3, 2017
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
May 18, 2017
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties
Nils Schieschke, Roberto Di Remigio, Luca Frediani, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2016
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution
Sebastian Höfener, Michael Trumm, Carsten Koke, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
August 8, 2018
Analytical Nuclear Excited-State Gradients for the Second-Order Approximate Coupled-Cluster Singles and Doubles (CC2) Method Employing Uncoupled Frozen-Density Embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
January 26, 2016
Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients
Johannes Heuser, Sebastian Höfener
The Journal of Chemical Physics
|
April 16, 2018
Communication: Biological applications of coupled-cluster frozen-density embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
August 3, 2017
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding
Johannes Heuser, Sebastian Höfener
Journal of Computational Chemistry
|
May 18, 2017
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties
Nils Schieschke, Roberto Di Remigio, Luca Frediani, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2016
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution
Sebastian Höfener, Michael Trumm, Carsten Koke, et al.
Page
of 1