Search for dissertations about: "rotational conformation"

Found 5 swedish dissertations containing the words rotational conformation.

2. 1. Singlet Fission - The Effects of Solvent Polarity and Conformation

   Author : Rasmus Ringström; Chalmers tekniska högskola; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Singlet fission; rotational conformation; photoinduced electron transfer; transient absorption;

   Abstract : Singlet fission (SF) is a process in which one initial high energy singlet excited state is converted into two triplet excited states of roughly half the energy of the initial state. This process has the potential to increase the efficiency of conventional solar cells by modifying the energy of the incident solar radiation to better match the energy input required to generate electricity. READ MORE

4. 2. Molecular dynamics studies of water and biomolecules

   Author : Pekka Mark; Karolinska Institutet; Karolinska Institutet; []
   Keywords : ;

   Abstract : This thesis concerns different areas of molecular dynamics (MD) simulations. In the first part of the thesis the ability of liquid water models to mimic the real bulk water properties and the accuracy of the methods to calculate the properties of water from MD simulations were examined. READ MORE

5. 3. Estimating molecular conformations by solid-state NMR spectroscopy

   Author : Xiaolong Feng; R Griffin; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

   Abstract : Our understanding of structure-function relationships in biological systems demands new and more sophisticated methods for examining molecular structure. This thesis presents an effort of methodology development for molecular structure determination by solid-state NMR spectroscopy and applications to biological systems. READ MORE

6. 4. Energy and Electron Transfer in Porphyrin-Based Donor--Bridge--Acceptor Systems

   Author : Kristine Kilså; Chalmers tekniska högskola; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; electron transfer; electronic coupling; donor--bridge--acceptor systems; quantum mechanical calculations; enhanced intersystem crossing; ligand and solvent effects; bridge mediation; energy transfer; porphyrin;

   Abstract : The photophysical properties of supramolecular donor--bridge--acceptor systems have been investigated by spectroscopic and quantum mechanical methods. The systems consist of porphyrin donor and acceptor moieties linked by bridging chromophores of varying excitation energy, and are shown to be geometrically well-defined in terms of length and rotational conformation. READ MORE

7. 5. Exploring the Molecular Behavior of Carbohydrates by NMR Spectroscopy : Shapes, motions and interactions

   Author : Olof Engström; Göran Widmalm; Anthony S. Serianni; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NMR spectroscopy; NMR relaxation; DNMR; CORCEMA-ST; carbohydrates; caffeine; O-antigen; glycofullerenes; organisk kemi; Organic Chemistry;

   Abstract : Carbohydrates are essential biomolecules that decorate cell membranes and proteins in organisms. They are important both as structural elements and as identification markers. Many biological and pathogenic processes rely on the identification of carbohydrates by proteins, thereby making them attractive as molecular blueprints for drugs. READ MORE