Sökning: "Vincenzo Carravetta"

Hittade 4 avhandlingar innehållade orden Vincenzo Carravetta.

  1. 1. First principles modeling of soft X-ray spectroscopy of complex systems

    Författare :Barbara Brena; Yi Luo; Vincenzo Carravetta; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : The electronic structures of complex systems have been studied by theoretical calculations of soft x-ray spectroscopies like x-ray photoelectron spectroscopy, near edge x-ray absorption fine structure, and x-ray emission spectroscopies. A new approach based on time dependent density functional theory has been developed for the calculation of shake-up satellites associated with photoelectron spectra. LÄS MER

  3. 2. Nuclear Dynamics in Linear and Non-linear X-ray Processes

    Författare :Quan Miao; Faris Gel'mukhanov; Vincenzo Carravetta; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : New generations of brilliant synchrotron radiation sources and intense X-ray and optical lasers have opened unprecedent opportunities in linear and non-linear spectroscopies of molecules. This together with new instrumentation calls for further development of theory to explain observations and suggest new experiments. LÄS MER

  4. 3. Spontaneous and stimulated X-ray Raman scattering

    Författare :Yu-Ping Sun; Faris Gel'mukhanov; Vincenzo Carravetta; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; resonant X-ray scattering; resonant Auger scattering; rotational Doppler broadening; XFEL pulse; Atomic and molecular physics; Atom- och molekylfysik; Spectroscopy; Spektroskopi;

    Sammanfattning : The present thesis is devoted to theoretical studies of resonant X-ray scattering and propagation of strong X-ray pulses. In the first part of the thesis the nuclear dynamics of different molecules is studied using resonant X-ray Raman and resonant Auger scattering techniques. LÄS MER

  5. 4. Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modelling

    Författare :Yan Wang; Hans Ågren; Vincenzo Carravetta; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; bio-nanocomposite; interfacial mechanism; binding affinity; dimensional stability; counterions; hydration; stress-strain behavior; xyloglucan; chitosan; chitin; molecular dynamics; montmorillonite.; 生物复合材料，界面机理，分子间亲和力，材料尺寸稳定性，抗衡离子，水合作用，应力应变表现， 木葡聚糖，壳聚糖，甲壳素，分子动力学模拟，蒙脱土; bio-nanokompositer; gränsytor; affinitet; dimensionsstabilitet; jonhydrering; spännings-töjningsbeteende; xyloglukan; kitosan; kitin; molekyldynamisk; montmorillonit.; Kemi; Chemistry; Fiber- och polymervetenskap; Fibre and Polymer Science; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. LÄS MER