Sökning: "UltraViolet-Visible absorption spectroscopy UV-Vis"

Hittade 2 avhandlingar innehållade orden UltraViolet-Visible absorption spectroscopy UV-Vis.

  1. 1. Electronic and Geometrical Structure of Phthalocyanines on Surfaces : An Electron Spectroscopy and Scanning Tunneling Microscopy Study

    Författare :John Åhlund; Carla Puglia; Joachim Schiessling; Emanuelle Göthelid; Nils Mårtensson; Nadine Witkowski; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; PhotoElectron Spectroscopy PES ; X-ray Absorption Spectroscopy XAS ; UltraViolet-Visible absorption spectroscopy UV-Vis ; Scanning Tunneling Microscopy STM ; Phthalocyanine Pc ; Iron Phthalocyanine FePc ; metal-free Phthalocyanine H2Pc ; Zinc Phthalocyanine ZnPc ; Graphite HOPG ; Indium Antimony InSb ; Surface science; Fysik;

    Sammanfattning : Core- and Valence Photoelectron Spectroscopy (PES), X-ray- and Ultraviolet-Visible Absorption Spectroscopy (XAS and UV-Vis), Scanning Tunneling Microscopy (STM) and Density Functional Theory (DFT) calculations are used to study the electronic and geometrical structure of a class of macro-cyclic molecules, Phthalocyanines (Pc), on surfaces. These molecules are widely studied due to their application in many different fields. LÄS MER

  3. 2. Implementation of complex polarization propagator theory for linear response properties of large molecular systems

    Författare :Manuel Brand; Patrick Norman; Berta Fernández Rodríguez; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Sammanfattning : Since its beginning, the remarkable development from the first commercially available computers toward exascale supercomputers just within the span of a lifetime has been closely intertwined with the perpetual quest for the utilization of the arising computing power for the avail of theoretical chemistry. With the aim of further pushing the limits of computationally accessible molecular system sizes, this thesis includes the presentation of programming efforts, which brought forth two quantum chemical software codes, as well as a range of ab initio studies on carbon-based systems, enabled by the former. LÄS MER