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Results of search for 'au:"Heuser, Johannes"'
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Authors
Di Remigio, Roberto
Ekström, Ulf
Frediani, Luca
Heuser, Johannes
Höfener, Sebastian
Koke, Carsten
Panak, Petra J
Schieschke, Nils
Schimmelpfennig, Bernd
Skerencak-Frech, Andrej
Trumm, Michael
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Topics
Computer Simulation
Cone Opsins
Models, Biological
Models, Chemical
Quantum Theory
Rhodopsin
chemistry
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English
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1.
Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding.
[electronic resource]
by
Heuser, Johannes
Höfener, Sebastian
Publication details:
Journal of computational chemistry
10 2017
In:
Journal of computational chemistry
vol. 38
Online resources:
Available from publisher's website
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2.
Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients.
[electronic resource]
by
Heuser, Johannes
Höfener, Sebastian
Producer:
20160812
In:
Journal of computational chemistry
vol. 37
Online resources:
Available from publisher's website
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3.
Communication: Biological applications of coupled-cluster frozen-density embedding.
[electronic resource]
by
Heuser, Johannes
Höfener, Sebastian
Producer:
20180702
In:
The Journal of chemical physics
vol. 148
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4.
Analytical Nuclear Excited-State Gradients for the Second-Order Approximate Coupled-Cluster Singles and Doubles (CC2) Method Employing Uncoupled Frozen-Density Embedding.
[electronic resource]
by
Heuser, Johannes
Höfener, Sebastian
Producer:
20180911
In:
Journal of chemical theory and computation
vol. 14
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5.
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.
[electronic resource]
by
Schieschke, Nils
Di Remigio, Roberto
Frediani, Luca
Heuser, Johannes
Höfener, Sebastian
Publication details:
Journal of computational chemistry
07 2017
In:
Journal of computational chemistry
vol. 38
Online resources:
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6.
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.
[electronic resource]
by
Höfener, Sebastian
Trumm, Michael
Koke, Carsten
Heuser, Johannes
Ekström, Ulf
Skerencak-Frech, Andrej
Schimmelpfennig, Bernd
Panak, Petra J
Producer:
20160923
In:
Physical chemistry chemical physics : PCCP
vol. 18
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