Sökning: "vibrational spectroscopy"
Visar resultat 1 - 5 av 156 avhandlingar innehållade orden vibrational spectroscopy.
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
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
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
4. Infrared and Photoelectron Spectroscopic Studies of Adsorbates on Solid Surfaces: Experiments and DFT Calculations
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
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