Sökning: "vibrational spectroscopy"

Visar resultat 1 - 5 av 170 avhandlingar innehållade orden vibrational spectroscopy.

  1. 1. Infrared spectroscopy : a tool for protein characterization

    Författare :Chenge Li; Andreas Barth; Silvia Maria Doglia; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Biochemistry; biokemi;

    Sammanfattning : Infrared (IR) spectroscopy, which belongs to vibrational spectroscopy, detects the vibrations of molecules, for example, proteins. The absorption of the peptide group gives rise to 9 characteristic bands in the infrared region, named A, B, I-VII, with a decreasing energy or wavenumber (cm-1). LÄS MER

  3. 2. Vibrational Spectroscopy of Surface Adsorbates on Metal Surfaces. Experiments and Calculations

    Författare :Ragnar K Ásmundsson; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ab initio electronic structure calculations; Fermi resonance; vibrational spectroscopy; Reflection absorption infrared spectroscopy; Fourier transform infrared spectroscopy; Cu 100 and W 110 single crystal surfaces; Physics; Fysik;

    Sammanfattning : This work deals with a detailed analysis of the vibrational spectra of methoxy (CH3O-) and ethoxy (CH3CH2O-) on W(110) and Cu(100) single crystal surfaces. By using theoretical ab initio quantum mechanical modeling, it is demonstrated that an unprecedented quantitative understanding of the vibrational frequencies of a surface adsorbate can be obtained. LÄS MER

  4. 3. Surface Vibrational and Electron Spectroscopy - Experiments and first-principle calculations

    Författare :Martin Andersson; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; gränsskikt; anharmonicity; Ytkemi; Surface and boundary layery chemistry; adsorbates; metal surface; density functional theory; first-principle calculations; electron spectroscopy; reflection-absorption infrared spectroscopy; vibrational spectroscpy;

    Sammanfattning : This work deals with interpretation of experimental surface spectroscopic data with the aid of first-principle calculations. Surface infrared reflection-absorption spectra as well as spectra from the electron spectroscopic methods photoemission and X-ray absorption are considered. LÄS MER

  5. 4. Infrared and Photoelectron Spectroscopic Studies of Adsorbates on Solid Surfaces: Experiments and DFT Calculations

    Författare :Jakob Blomquist; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; magnetic resonance; supraconductors; magnetic and optical properties; electrical; Solid Surfaces; Chemistry; Kemi; Condensed matter:electronic structure; FTIR spectroscopy; DFT Cluster calculations; Anharmonicity; Photoelectron spectroscopy; relaxation; spectroscopy; Kondenserade materiens egenskaper:elektronstruktur; egenskaper elektriska; magnetiska och optiska ; supraledare; magnetisk resonans; spektroskopi; Surface and boundary layery chemistry; Ytkemi; gränsskikt;

    Sammanfattning : In general, the more complex and real a system is, with all its interactions with solvents and contaminations etc., the harder it is to accurately model it and reproduce the experimental results by calculations. LÄS MER

  7. 5. Ultrafast, Non-Equilibrium Electron Transfer Reactions of Molecular Complexes in Solution

    Författare :Jonas Petersson; Leif Hammarström; Antonín Vlček; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron transfer; laser; spectroscopy; transient absorption; anisortopy; inter ligand electron transfer; dye sensitized solar cell; DSSC; vibrational relaxation; ultrafast dynamics; fs spectroscopy; Kemi med inriktning mot kemisk fysik; Chemistry with specialization in Chemical Physics;

    Sammanfattning : Photoinduced electron transfer is a fundamentally interesting process; it occurs everywhere in the natural world. Studies on electron transfer shed light on questions about the interaction between molecules and how the dynamics of these can be utilized to steer the electron transfer processes to achieve a desired goal. LÄS MER