Philipps-Universität Marburg
Fachbereich 15: Chemie
Fachgebiet Theoretische Chemie
Address
Hans-Meerwein-Straße
35043 Marburg
Deutschland
GERiT
This institution in GERiT
35043 Marburg
Projects
Research Grants
Current projects
Non-bonding molecular spinors and tests of fundamental physics with laser-cooled ions
(Applicant
Berger, Robert
)
Completed projects
Berechnung und Analyse der chemischen Bindung von Donor-Akzeptor-Komplexen
(Applicant
Frenking, Gernot
)
Bimetallic clusters as model systems for the alloy formation
(Applicant
Schäfer, Rolf
)
Dative Bonding in Main-Group Chemistry: Structure and Reactivity
(Applicant
Frenking, Gernot
)
Experimentelle und theoretische Untersuchungen der chemo- und regioselektiven Synthese polyfunktionalisierter Aromaten durch Übergangsmetall-katalysierte Cyclisierungsreaktionen
(Applicants
Frenking, Gernot
;
Hilt, Gerhard
)
International Collaboration in Chemistry: Carbenes as Stabilizing and Activating Agents in Boron, Carbon and Phosphorus Chemistry
(Applicant
Frenking, Gernot
)
Molecular Alloys: The Transition Metal Compounds [Ma(M'R)b(M''R)c] Containing Organometallic Group-12/13 Ligands
(Applicants
Fischer, Roland A.
;
Frenking, Gernot
)
Multiscale simulations on the structure and dynamics of ionic liquids
(Applicants
Berger, Robert
;
Delle Site, Luigi
;
Holm, Christian
)
Phantom polyguanidines by ring-closing condensation polymerization: Mechanistic studies and properties investigations
(Applicants
Agarwal, Seema
;
Frenking, Gernot
)
Quantenchemische Berechnungen der Addition von Olefinen an Übergangsmetallkomplexe mit Oxo-, Alkyliden(Carben)- und Imidoliganden
(Applicant
Frenking, Gernot
)
Quantenchemische Berechnungen von heterodinuklearen Übergangsmetallverbindungen mit Metall-Metall-Mehrfachbindungen
(Applicant
Frenking, Gernot
)
Quantenchemische Berechnungen von Übergangsmetallkomplexen mit pi-heterocyclischen Liganden
(Applicant
Frenking, Gernot
)
Quantum chemical calculations of divalent carbon(0) compounds and related molecules
(Applicant
Frenking, Gernot
)
Priority Programmes
Completed projects
Generation of composites from borides with tuneable electrical conductivities using peptides optimized by genetic engineering; characterization of the bio-solid interactions by modelling and AFM
(Applicants
Albert, Barbara
;
Berger, Robert
;
Stark, Robert
;
van der Vegt, Nico
)
Multiscale simulations on the structure and dynamics of ionic liquids
(Applicants
Berger, Robert
;
Delle Site, Luigi
;
Holm, Christian
)
Quantentheoretische Berechnungen von Übergangsmetallkomplexen mit Nitridobrücken
(Applicant
Frenking, Gernot
)
Research Units
Completed projects
Analysis and prediction of anisotropic nuclear magnetic resonance parameters
(Applicant
Berger, Robert
)
Collaborative Research Centres
Current projects
Integrated Research Training Group
(Project Heads
Roesky, Peter
;
Weigend, Florian
)
Quantum-Chemical Computations on Rare-Earth Compounds
(Project Heads
Fink, Karin
;
Klopper, Willem M.
;
Weigend, Florian
)
Signatures of molecular chirality in the electron cloud
(Project Head
Berger, Robert
)
Completed projects
Ab-Initio Computation of NMR Parameters for the Study of Selected Polymer Structural Fragments
(Project Heads
Klopper, Willem M.
;
Weigend, Florian
)
Quantum chemistry for molecular vibrational and electronic transitions at organic interfaces
(Project Head
Berger, Robert
)
Research Fellowships
Completed projects
Molecular Simulations of Indoor Air Chemistry
(Applicant
von Domaros, Michael
)
Major Research Instrumentation
Completed projects
High-performance compute cluster
