Search for dissertations about: "NMR theory"

Showing result 1 - 5 of 56 swedish dissertations containing the words NMR theory.

  2. 1. Density Functional Theory for EPR and NMR Spin Hamiltonian Parameters

    Author : Zilvinas Rinkevicius; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; EPR; NMR; response theory; Theoretical chemistry; Teoretisk kemi;

    Abstract : .... READ MORE

  4. 2. Structure determination of ribosomal proteins and development of new methods in biomolecular NMR

    Author : Magnus Helgstrand; KTH; []
    Keywords : nuclear magnetic resonance; structure determination; ribosomal proteins; NMR simulations; NMR theory; NMR assignment software; semiautomatic assignment;

    Abstract : This thesis concerns different areas of biomolecular nuclearmagnetic resonance spectroscopy (NMR). In the first part of thethesis a new formalism for simulations of NMR pulse sequencesis introduced. The formalism is derived both from classicalmechanics and quantum mechanics and is presented forhomonuclear and heteronuclear spin systems. READ MORE

  5. 3. Simulation of Relaxation Processes in Fluorescence, EPR and NMR Spectroscopy

    Author : Pär Håkansson; Per-Olof Westlund; Yehudi K. Levine; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; EPR; NMR; Energy migration; bicontinuous cubic phase; Stochastic Liouville Equation; Brownian Dynamics; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

    Abstract : Relaxation models are developed using numerical solutions of the Stochastic Liouville Equation of motion. Simplified descriptions such as the stochastic master equation is described in the context of fluorescence depolarisation experiments. Redfield theory is used in order to describe NMR relaxation in bicontinuous phases. READ MORE

  6. 4. Molecular Association Studied by NMR Spectroscopy

    Author : Lars Nordstierna; István Furó; Peter Griffiths; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NMR; spin relaxation; self-diffusion; intermolecular cross-relaxation; chemical shift; fluorinated surfactants; hydrogenated surfactant; micelle; non-ideal mixing; adsorption; hydration; surfactant-protein association; Physical chemistry; Fysikalisk kemi;

    Abstract : This Thesis presents studies of molecular association in aqueous solution and at the liquid/solid interface. The investigated molecular systems range from self-aggregating surfactants to hydration water in contact with micelles or individual molecules. In most studies, combinations of various NMR methods were applied. READ MORE

  7. 5. ROBUST DETECTION AND SPECTRAL ANALYSIS OF SIGNALS WITH APPLICATIONS IN SPECTROSCOPY

    Author : Naveed Butt; Matematisk statistik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Detection; NQR; NMR; Raman Spectroscopy; Spectral Analysis.;

    Abstract : Modern spectroscopic techniques, such as nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR), and Raman spectroscopy, rely heavily on statistical signal processing systems for decision making and information extraction. The first part of this thesis introduces novel robust algorithms for detection, estimation, and classification of signals obtained through these spectroscopic techniques. READ MORE