Sökning: "dipolar coupling"

Visar resultat 1 - 5 av 19 avhandlingar innehållade orden dipolar coupling.

  1. 1. Molecular Order and Dynamics in Nanostructured Materials by Solid-State NMR

    Författare :Boris Kharkov; Sergey Dvinskikh; Steven Brown; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; mesoporous materials; organic-inorganic nanocomposites; surfactants; liquid crystals; MCM-41; clays; conformational dynamics; solid-state NMR; local field spectroscopy; dipolar coupling; dipolar recoupling; spin decoupling.; Kemi; Chemistry;

    Sammanfattning : Organic-inorganic nanostructured composites are nowadays integrated in the field of material science and technology. They are used as advanced materials directly or as precursors to novel composites with potential applications in optics, mechanics, energy, catalysis and medicine. LÄS MER

  3. 2. Hot-carrier generation and strong coupling in metal nanoparticles

    Författare :Jakub Fojt; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; hot carriers; strong coupling; nanoparticles; nanoplasmonics;

    Sammanfattning : Metal nanoparticles are an emerging platform for energy applications such as photovoltaics, solar-to-fuel conversion and photocatalysis. Nanoparticles confine the oscillating electromagnetic field of visible light to very small volumes, which allows for efficient absorption and scattering of light in the solar spectral range. LÄS MER

  4. 3. Solitons, vortices and shell structure in ultracold atomic quantum systems

    Författare :Gunnar Eriksson; NanoLund: Centre for Nanoscience; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; few-body physics; finite-size effects; solitary waves; quantized vortices; quantum hysteresis; shell structure; dipolar interactions; Fysicumarkivet A:2020:Eriksson;

    Sammanfattning : This dissertation deals with finite-size effects in a few different quantum many-body phenomena in ultracold atomic systems. The finite-sized systems were simulated numerically using both mean-field methods and methods beyond mean-field, e.g. quadratic configuration interaction and exact diagonalization. LÄS MER

  5. 4. Conformational Dynamics of Carbohydrates Studied by NMR Spectroscopy and Molecular Simulations

    Författare :Jennie Östervall; Göran Widmalm; C. Allen Bush; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; NMR; Molecular Dynamics; Conformation; Dynamics; Residual Dipolar Couplings; Cyclodextrins; Oligosaccharides; Organic chemistry; Organisk kemi;

    Sammanfattning : Carbohydrates play important roles in biological processes. Their function is closely related to their conformation. In this thesis, conformational studies of carbohydrates by NMR spectroscopy and molecular dynamics computer simulations are described. LÄS MER

  7. 5. Theoretical Description of Electronic Transitions in Large Molecular Systems in the Optical and X-Ray Regions

    Författare :Nanna Holmgaard List; Jacob Kongsted; Hans Jørgen Aagaard Jensen; Roberto Cammi; Jeppe Olsen; Jens Oddershede; Denmark University of Southern Denmark Chemistry and Biology Department of Physics; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polarizable embedding; multiscale modeling; localized electronic transitions; response theory; QM MM; damped linear response; non-dipolar effects; light-matter interactions; multipole expansion; embedding potentials; local field effects; fluorescent proteins; computational chemistry; MCSCF; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Sammanfattning : The size and conformational complexity of proteins and other large systems represent major challenges for today's methods of quantum chemistry.This thesis is centered around the development of new computational tools to gain molecular-level insight into electronic transitions in such systems. LÄS MER