Sökning: "Electronic structure of atoms and molecules"

Visar resultat 1 - 5 av 59 avhandlingar innehållade orden Electronic structure of atoms and molecules.

  1. 1. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers

    Författare :Torbjörn Rander; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Matthias Neeb; Uppsala universitet; []
    Nyckelord :Atomic and molecular physics; Free clusters; Electron spectroscopy; Doped clusters; Laser excitation; Alkali metals; Electronic structure; Geometric structure; X-ray photoelectron spectroscopy XPS ; Resonant Auger spectroscopy RAS ; Near-threshold x-ray absorption fine structure NEXAFS ; Ultraviolet photoelectron spectroscopy UPS ; Detuning; Ultra-fast dissociation UFD ; Sodium; Potassium; Oxygen; Bromomethane; Argon; Xenon; Krypton; Molecular field splitting; Core hole lifetime; Core excitation; Atom- och molekylfysik;

    Sammanfattning : Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects. LÄS MER

  3. 2. A soft X-ray emission study of the electronic structure of molecules

    Författare :Kerstin Gunnelin; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; molecules; electronic structure; soft x-ray emission spectroscopy; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : The electronic structure of molecules has been studied with soft x-ray emission (SXE)spectroscopy. The parity selection rule for electronic transitions using resonant excitation has been verified for homonuclear diatomic molecules by studying N2 and O2. LÄS MER

  4. 3. Single-photon multiple ionisation of atoms and molecules investigated by coincidence spectroscopy : Site-specific effects in acetaldehyde and carbon dioxide

    Författare :Sergey Zagorodskikh; Raimund Feifel; Vitali Zhaunerchyk; Melanie Mucke; Maria Novella Piancastelli; Tom Field; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; acetaldehyde; carbon dioxide; xenon; electron correlation; double ionisation; triple ionisation; core-valence ionisation; site-specific Auger decay; multiple Auger decay; branching ratios; site-specific photodissociation; molecular rearrangement; time-of-flight multi-electron-ion coincidence spectroscopy; synchrotron radiation; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : In this thesis, multiple ionisation processes of free atoms and molecules upon single photon absorption are studied by means of a versatile multi-electron-ion coincidence spectroscopy method based on a magnetic bottle, primarily in combination with synchrotron radiation. The latter offered the possibility to access not only valence but also core levels, revealing processes, which promote the target systems into different charge states. LÄS MER

  5. 4. Ions colliding with molecules and molecular clusters : fragmentation and growth processes

    Författare :Tao Chen; Henrik Cederquist; Hutton Roger; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; PAH; H2; C60; fragmentation; fysik; Physics;

    Sammanfattning : In this work we will discuss fragmentation and molecular growth processes in collisions of Polycyclic Aromatic Hydrocarbon (PAH) molecules, fullerenes, or their clusters with atoms or atomic ions. Simple collision models as well as molecular structure calculations are used to aid the interpretations of the present and other experimental results. LÄS MER

  7. 5. Atomic Scale Design of Clean Energy Materials : Efficient Solar Energy Conversion and Gas Sensing

    Författare :Jawad Nisar; Rajeev Ahuja; Puru Jena; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Photocatalysts; Band gap narrowing; Water dissociation; Density functional theory; Gas sensing; Kaolinite; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The focus of this doctoral thesis is the atomic level design of photocatalysts and gas sensing materials. The band gap narrowing in the metal oxides for the visible-light driven photocatalyst as well as the interaction of water and gas molecules on the reactive surfaces of metal oxides and the electronic structure of kaolinite has been studied by the state-of-art calculations. LÄS MER