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Institution
Humboldt-Universität zu Berlin
Institut für Chemie
Arbeitsgruppe Numerische Quantenchemie für komplexe Systeme (aufgelöst)
Address
Brook-Taylor-Straße 2
12489 Berlin
Deutschland
12489 Berlin
Projects
Research Grants
Completed projects
Bestimmung von Strukturen und Schwingungsfrequenzen in H-verbrückten molekularen Clustern mittels lokaler Elektronenkorrelationsmethoden
(Applicant
Schütz, Martin
)
Development of local correlation methods for calculating magnetic properties of extended molecular systems
(Applicant
Schütz, Martin
)
Entwicklung einer lokalen Coupled Cluster Linear Responsemethode zur Berechnung von molekularen Eigenschaften elektronisch angeregter Zustände von großen Molekülen
(Applicant
Schütz, Martin
)
Local Coupled Cluster response for open-shell systems
(Applicant
Schütz, Martin
)
Theoretical investigations of photo-induced self- and photolyase assisted repair of DNA using Quantum Mechanical/Molecular Mechanical methodes
(Applicant
Schütz, Martin
)
Priority Programmes
Completed projects
Development of local Coupled Cluster Linear Response method for the calculation of excited state properties of extended molecular systems
(Applicant
Schütz, Martin
)
Development of local electron correlation methods for periodic systems
(Applicant
Schütz, Martin
)
Major Research Instrumentation
Completed projects
Compute-Cluster mit 30 Rechenknoten
Research Training Groups
Completed projects
GRK 640: Natural Sensory Photoreceptors, Artificial Photoreceptors, Principle of Light Reception and Conversion into a Modulated Signal
(Spokesperson
Dick, Bernhard
)
GRK 1626: Chemical Photocatalysis
(Spokesperson
König, Burkhard
)
Additional Information
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