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Johannes Heuser

Showing results (1-10 of 6) with videos related to

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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 EmbeddingJohannes Heuser, Sebastian Höfener
Journal of Computational Chemistry|January 26, 2016
Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradientsJohannes Heuser, Sebastian Höfener
The Journal of Chemical Physics|April 16, 2018
Communication: Biological applications of coupled-cluster frozen-density embeddingJohannes Heuser, Sebastian Höfener
Journal of Computational Chemistry|August 3, 2017
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embeddingJohannes 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 propertiesNils 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 solutionSebastian Höfener, Michael Trumm, Carsten Koke, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 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 EmbeddingJohannes Heuser, Sebastian Höfener
Journal of Computational Chemistry|January 26, 2016
Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradientsJohannes Heuser, Sebastian Höfener
The Journal of Chemical Physics|April 16, 2018
Communication: Biological applications of coupled-cluster frozen-density embeddingJohannes Heuser, Sebastian Höfener
Journal of Computational Chemistry|August 3, 2017
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embeddingJohannes 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 propertiesNils 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 solutionSebastian Höfener, Michael Trumm, Carsten Koke, et al.
Pageof 1