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Institution
Universität zu Köln
Department für Chemie
Institut für Theoretische Chemie
Address
Greinstraße 4
50939 Köln
Deutschland
GERiT
This institution in GERiT
50939 Köln
Projects
Priority Programmes
Completed projects
Harttree-Fock-Wigner correlation model and wavefunction-based correlation treatment for large and periodic systems
(Applicant
Dolg, Michael
)
Koordinatorfonds
(Applicant
Dolg, Michael
)
SPP 1145: Modern and universal first-principles methods for many-electron systems in chemistry and physics
(Spokesperson
Dolg, Michael
)
Research Grants
Completed projects
5f-in-core Wood-Boring und 5f-in-valence Dirac-Hartree-Fock Pseudopotentiale für Actinoiden
(Applicant
Dolg, Michael
)
Ab initio investigation of molecular junctions with various stereoisomers and substituents
(Applicant
Albrecht, Martin
)
Anwendung eines neu (2005) entwickelten exponentiellen multi-Referenz Wellenfunktionsansatzes auf Probleme jenseits einfacher Testsysteme
(Applicant
Hanrath, Michael
)
Development and implementation of an RI-F12-MP2 wavefunction-based incremental correlation treatment for large molecules and polymers
(Applicant
Dolg, Michael
)
Implementation und Auswertung der Varianz von Wellenfunktionen
(Applicant
Hanrath, Michael
)
MCDHF/DC+B-adjusted pseudopotentials for lanthanides and quantum chemical investigations of lanthanide compounds with unusual electronic structure
(Applicant
Dolg, Michael
)
Multiconfiguration Dirac-Hartree-Fock adjustment of relativistic pseudoptentials for d elements
(Applicant
Stoll, Hermann
)
Quantum chemical investigations of lanthanoid(III) and actinoid(III) texaphyrin complexes as well as of their medical and technical applications
(Applicant
Cao, Xiaoyan
)
Collaborative Research Centres
Completed projects
Elektronenstrukturrechnungen zur Untersuchung amorpher kohlenstoffhaltiger binärer Netzwerke (CN) und (C3O2)
(Project Head
Dolg, Michael
)
Quantenchemische Untersuchungen an titanocentemplat-katalysierten 4-exo-Cyclisierungen
(Project Head
Dolg, Michael
)
Schwingungs- und Relaxationsdynamik von Keramiken und Gläsern
(Project Heads
Dolg, Michael
;
Oligschleger, Christina
)
Additional Information
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