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Visar resultat 1 - 5 av 7 avhandlingar som matchar ovanstående sökkriterier.

1. 1. Development and Application of a First Principle Molecular Model for Solvent Effects

   Författare :Anders Öhrn; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; magnetisk resonans; Fysikalisk kemi; Physical chemistry; gränsskikt; Ytkemi; Surface and boundary layery chemistry; spektroskopi; egenskaper elektriska; magnetiska och optiska ; supraledare; Kondenserade materiens egenskaper:elektronstruktur; spectroscopy; relaxation; magnetic resonance; supraconductors; magnetic and optical properties; Kemi; Condensed matter:electronic structure; electrical; Solvent model; Solvochromatic shift; Chemistry; Solvent effects; Solvation; Intermolecular interactions; Quantum chemistry; Statistical mechanics;

   Sammanfattning : A considerable part of chemistry in nature and industry, takes place in an environment of other molecules. Reactions, transitions, interactions or other chemical processes are almost always modified by the environment. LÄS MER

3. 2. 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

4. 3. 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

5. 4. DNA Compaction at Surfaces

   Författare :Marité Cárdenas; Fysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polymer technology; Fysikalisk kemi; Physical chemistry; gränsskikt; Ytkemi; Surface and boundary layery chemistry; cationic amphiphiles; DNA; Polymerteknik; surface; biopolymers;

   Sammanfattning : The interfacial behavior of DNA and DNA-cationic surfactant has been studied. Particular attention was paid to the type of cationic surfactant and the DNA conformation (single or double stranded) as well as the DNA length. LÄS MER

7. 5. Ellipsometry studies of liquid interfaces: New methodology and applications

   Författare :Jan-Willem Benjamins; Fysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Surface and boundary layery chemistry; Ytkemi; gränsskikt; phospholipids; lactoglobulin; air water; oil water; block copolymers; nonionic surfactants; Brewster angle microscopy; Ellipsometry; adsorption;

   Sammanfattning : Adsorption of several surface active agents, such as nonionics, diblock copolymers, triblock copolymers, proteins and phospholipids at the oil/water and air/water has been studied. In order to be able to do this, a new ellipsometry setup, which utilizes light guides, was developed and tested. LÄS MER