29 Results for (keywords_en:QUANTUM CHEMISTRY AND QUANTUM MECHANICS)

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1. Electron density in quantum chemistry

Fux, Samuel (2011)


Doctoral and Habilitation Theses

2. Quantum chemical studies of metal-metal interactions

Yu, Lian (2009)


Doctoral and Habilitation Theses

3. Structure determining interactions in polynuclear metal clusters

Podewitz, Maren (2010)


Doctoral and Habilitation Theses

4. Methodological advances in theoretical spectroscopy for bio and inorganic molecules

Luber, Sandra Erika (2009)


Doctoral and Habilitation Theses

5. Projection techniques for complexity reduction and information extraction in correlated quantum systems

Herrmann, Carmen (2006)


Doctoral and Habilitation Theses

6. Computational crystal structure prediction

Glass, Colin William (2008)


Doctoral and Habilitation Theses

7. Combined spectroscopic and theoretical elucidation of catalytic reaction pathways

Urakawa, Atsushi (2006)


Doctoral and Habilitation Theses

8. On a new solution to the electron correlation problem in quantum chemistry

Moritz, Gerrit (2007)


Doctoral and Habilitation Theses

9. A quantum-chemical magnifying glass for chromophores in proteins

Kiewisch, Karin (2010)


Doctoral and Habilitation Theses

10. Advanced methods in Ab-initio molecular dynamics

Mohamed, Fawzi Roberto (2006)


Doctoral and Habilitation Theses

11. First-principles simulations of multi-orbital systems with strong electronic correlations

Surer, Brigitte (2011)


Doctoral and Habilitation Theses

12. Metal-ligand cooperativity in rhodium and platinum amido complexes

Ricatto, Federica Alessia Maria (2008)


Doctoral and Habilitation Theses

13. Dopant clustering and diffusion in silicon

Vollenweider, Kilian (2010)


Doctoral and Habilitation Theses

14. Ab initio molecular dynamics simulation of diffusion in silicon

Sahli, Beat (2006)


Doctoral and Habilitation Theses

15. Chromophore-specific theoretical spectroscopy

Neugebauer, Johannes (2009)


Doctoral and Habilitation Theses

16. Potential of gold-based catalysts for catalytic oxidation with oxygen

Haider, Peter Sebastian (2009)


Doctoral and Habilitation Theses

17. Competitive adsorption and chromatography at supercritical conditions

Ottiger, Stefan Pascal (2008)


Doctoral and Habilitation Theses

18. Structure property relations of coupled squaraine dyes

Kuster, Simon (2010)


Doctoral and Habilitation Theses

19. Organometallic platinum (II) complexes

Moret, Marc-Etienne (2009)


Doctoral and Habilitation Theses

20. Intrinsic reactivities of vanadium and iron-heme peroxidases studied by means of electrospray mass spectrometry

Jufer, Martin (2010)


Doctoral and Habilitation Theses

21. Superconducting tunnel junctions as energy resolving single photon detectors

Jerjen, Iwan (2007)


Doctoral and Habilitation Theses

22. Realistic simulation of semiconductor nanostructures

May, Christian P. (Christian Peter) (2009)


Doctoral and Habilitation Theses

23. Studies of the structure and reactivity of transition metal compounds through ab initio and hybrid QM/MM molecular dynamics simulations

Magistrato, Alessandra (2001)


Doctoral and Habilitation Theses

24. Ruthenium(IV) catalyzed allylation using allyl alcohols as substrates

Gruber, Stefan (2009)


Doctoral and Habilitation Theses

25. Quantum chemical studies of anti-cancer complexes

Lau, Kai Chi (2007)


Doctoral and Habilitation Theses


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