Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme [E-Book] : Investigating Photoexcitations in Large Biomolecular Systems / by Maximilian Scheurer.
Maximilian Scheurer presents a method for modeling excited states in atomistic, heterogeneous environments. The method utilizes the polarizable embedding (PE) model to mimic electrostatic and polarization interactions of a molecule with its environment. For high-level modeling of the molecule's...
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Full text |
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Personal Name(s): | Scheurer, Maximilian, author |
Edition: |
1st edition 2020. |
Imprint: |
Wiesbaden :
Springer Spektrum,
2020
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Physical Description: |
X, 97 pages 12 illustrations (online resource) |
Note: |
englisch |
ISBN: |
9783658312817 |
DOI: |
10.1007/978-3-658-31281-7 |
Series Title: |
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BestMasters
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Subject (LOC): |
- Comprehensive Introduction to Polarizable Embedding Models
- Derivation of the Perturbative PE-ADC Approach and Benchmark
- Case Study of a Flavoprotein Quenching Mechanism.