Sökning: "Markus Kowalewski"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden Markus Kowalewski.

1. 1. Fundamental interactions in transition metal reactions

   Författare :Michael R. Coates; Michael Odelius; Markus Kowalewski; Abhik Ghosh; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; electronic structure; multiconfigurational; density functional theory; molecular dynamics; excited state molecular dynamics; non-adiabatic dynamics; solvation; organometallic complexes; x-ray absorption spectroscopy; photoelectron spectroscopy; time-resolved spectroscopy; femtosecond; picosecond; kemisk fysik; Chemical Physics;

   Sammanfattning : Transition metal complexes that participate in homogeneous reactions often perform the role of a catalyst, facilitating novel reaction pathways. When these complexes are pushed away from their equilibrium, the arrangement of the coordinating ligands around the metal center is perturbed and new reaction pathways are opened. LÄS MER

3. 2. Ensembles and Open Quantum Systems in Polaritonic Chemistry

   Författare :Eric Davidsson; Markus Kowalewski; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polaritonic Chemistry; Optical Cavities; Open Quantum Systems; Quantum Simulations; teoretisk fysik; Theoretical Physics;

   Sammanfattning : Optical cavities—where spatial confinement can focus electromagnetic excitations—are able to couple matter to light with enough strength that the behaviour of the combined system is best understood in terms of polaritonic states; mixtures of excitations in both light and matter. This polaritonic regime provides a novel approach for modification and control of chemical reactions, and lately, experimental advancements are realising this potential. LÄS MER

4. 3. Ensembles and Open Quantum Systems in Polaritonic Chemistry

   Författare :Eric Davidsson; Markus Kowalewski; Gerrit Groenhof; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polaritonic Chemistry; Open Quantum Systems; Cavity QED; The Jaynes-Cummings Model; Optical Cavities; Computational Quantum Dynamics; Theoretical Physics; teoretisk fysik;

   Sammanfattning : Optical cavities are structures where excitations in the electromagnetic field (photons of light) are confined and generally long-lived. The spatial confinement will enhance interactions with any matter systems in the cavity, such that the behaviour of a combined system is best understood in terms of polaritonic states; mixtures of excitations in both light and matter. LÄS MER

5. 4. Non-linear Spectroscopy of Conical Intersections

   Författare :Deependra Jadoun; Markus Kowalewski; Eva Lindroth; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; kemisk fysik; Chemical Physics;

   Sammanfattning : Conical Intersections (CIs) in a molecule originate from the breakdown of the Born-Oppenheimer approximation when electronic states come close in energy. Ultrafast non-radiative decay channels open up in the vicinity of a CI, thus funneling a molecule from one electronic state to another. LÄS MER

7. 5. Non-linear Spectroscopy of Conical Intersections with XUV and X-ray Photons

   Författare :Deependra Jadoun; Markus Kowalewski; Faris Gelmukhanov; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Conical Intersections; Non-linear Spectroscopy; Quantum Dynamics; Perturbation Theory; Ultrafast Spectroscopy; X-ray; XUV; Theoretical Physics; teoretisk fysik;

   Sammanfattning : Conical intersections (CIs) appear in a molecule due to the breakdown of the Born-Oppenheimer approximation when the energy difference between two or more electronic states decreases. CIs are known to play a crucial role in processes such as photosynthesis and vision in the human eye, and therefore it is important to probe the existence of such entities in molecules. LÄS MER