Maximilian scheurer (14 risultati)

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Condizione: New. pp. 94.

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Paperback. Condizione: Brand New. 108 pages. 8.27x5.83x0.25 inches. In Stock.

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Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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 excited states, the algebraic-diagrammatic construction scheme for the polarization propagator (ADC) is employed. The presented work outlines the theoretical foundations of PE and ADC and the combination of both methods, termed PE-ADC. The accuracy of PE-ADC is tested, and the charge-transfer (CT) excitation in the dodecin protein is studied. This book presents a comprehensive elaboration on the new PE-ADC method and a state-of-the-art application of PE-ADC to a photo-biochemical process.…

Taschenbuch. Condizione: Neu. Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme | Investigating Photoexcitations in Large Biomolecular Systems | Maximilian Scheurer | Taschenbuch | BestMasters | x | Englisch | 2020 | Springer Vieweg | EAN 9783658312800 | Verantwortliche Person für die EU: Springer Spektrum in Springer Science + Business Media, Tiergartenstr. 15-17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.…

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Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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 excited states, the algebraic-diagrammatic construction scheme for the polarization propagator (ADC) is employed. The presented work outlines the theoretical foundations of PE and ADC and the combination of both methods, termed PE-ADC. The accuracy of PE-ADC is tested, and the charge-transfer (CT) excitation in the dodecin protein is studied. This book presents a comprehensive elaboration on the new PE-ADC method and a state-of-the-art application of PE-ADC to a photo-biochemical process. 108 pp. Englisch.…

Condizione: New. Print on Demand pp. 94.

Condizione: New. PRINT ON DEMAND pp. 94.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Comprehensive Introduction to Polarizable Embedding Models.- Derivation of the Perturbative PE-ADC Approach and Benchmark.- Case Study of a Flavoprotein Quenching Mechanism.Maximilian Scheurer presents a method for modeling excited states in atomistic, .…

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -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 excited states, the algebraic-diagrammatic construction scheme for the polarization propagator (ADC) is employed. The presented work outlines the theoretical foundations of PE and ADC and the combination of both methods, termed PE-ADC. The accuracy of PE-ADC is tested, and the charge-transfer (CT) excitation in the dodecin protein is studied. This book presents a comprehensive elaboration on the new PE-ADC method and a state-of-the-art application of PE-ADC to a photo-biochemical process.Springer-Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 108 pp. Englisch.…