Search for dissertations about: "pump-probe spectroscopy water"

Showing result 1 - 5 of 8 swedish dissertations containing the words pump-probe spectroscopy water.

2. 1. Infrared - X-ray pump probe spectroscopy

   Author : Viviane Costa Felicissimo; Faris Gelmukhanov; KTH; []
   Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Biochemistry; Biokemi; Biochemistry; Biokemi;

   Abstract : The present thesis concerns theoretical studies of molecular interactions investigated by infrared and X-ray spectroscopic techniques, with emphasis on using the two technologies combined in pump probe experiments. Three main types of studies are addressed: the use of near-edge X-ray absorption fine structure spectra (NEXAFS) to manifest through-bond and through-space interactions; the role of hydrogen bonding on the formation of X-ray photoelectron spectra as evidenced by simulations of the water dimer; and the development of theory, with sample applications, for infrared X-ray pump probe spectroscopy - the main theme of the thesis. READ MORE

4. 2. Multimode resonant X-ray scattering of free molecules

   Author : Nina Ignatova; Victor Kimberg; Faris Gel’mukhanov; Sergey Polyutov; Hans Ågren; Piero Decleva; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; X-ray absorption spectroscopy; core-excited state; nuclear dynamic; wave-packet; resonant inelastic X-ray scattering; Franck-Condon; water; methanol; water isotopomer; pump-probe; quantum chemistry; ultrafast dissociation; Kemi; Chemistry; Fysik; Physics;

   Abstract : This thesis is focused on the role that nuclear dynamics plays in the formation of X-ray absorption (XAS) and resonant inelastic X-ray scattering (RIXS) spectra of multimode free molecules. A combined approach based on ab initio electronic structure methods and quantum nuclear wave packet dynamics is applied to two systems -- water and methanol in the gas phase. READ MORE

5. 3. Principles of Infrared - X-ray Pump-probe Spectroscopy

   Author : Viviane Costa Felicissimo; Faris Gelmukha; Maria Marian Christel; KTH; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Bioengineering; Bioteknik;

   Abstract : The present thesis concerns theoretical studies of molecular interactions investigated by infrared and X-ray spectroscopic techniques, with emphasis on using these two techniques combined in pump-probe experiments. Four main types of studies are addressed: the use of near-edge X-ray absorption fine structure spectra (NEXAFS) to manifest through-bond and through-space interactions; the role of hydrogen bonding in the formation of X-ray photoelectron spectra as evidenced by simulations of the water dimer; the development of theory, with sample applications, for infrared X-ray pump-probe spectroscopy; and molecular dynamics simulations of light-induced fragmentation of water clusters. READ MORE

6. 4. X-Ray Investigations of the Liquid-Liquid Critical Point Hypothesis in Supercooled Water

   Author : Alexander Späh; Anders Nilsson; Martin Meedom Nielsen; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; water; supercooled water; x-ray scattering; free electron x-ray laser; liquid-liquid phase transition; liquid-liquid critical point; x-ray speckle visibility spectroscopy; kemisk fysik; Chemical Physics;

   Abstract : This thesis presents experimental x-ray scattering studies on supercooled liquid water. A liquid-liquid transition between two structurally distinct configurations has been found in deeply supercooled water, indicating the existence of a liquid- liquid critical point. READ MORE

7. 5. Multidimensional nuclear dynamics studied by resonant X-ray scattering and pump-probe spectroscopy

   Author : Viktoriia Savchenko; Victor Kimberg; Faris Gel'mukhanov; Sergey Polyutov; Sergey Bokarev; KTH; []
   Keywords : Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

   Abstract : This thesis is devoted to the theoretical studies of the multidimensional nuclear dynamics in molecules with the help of X-ray and pump-probe spectroscopy. Using an accurate yet computationally cheap mixed approach multimode X-ray absorption spectra (XAS) and resonant inelastic X-ray scattering (RIXS) spectra of water, methanol, and acetic acid were calculated and compared with the available experimental spectra in the gas and liquid phases. READ MORE