Sökning: "charge-transfer"

Visar resultat 21 - 25 av 182 avhandlingar innehållade ordet charge-transfer.

1. 21. Quantum and quantum-classical calculations of core-ionized molecules in varied environments

   Författare :Tuomas Löytynoja; Hans Ågren; Jukka Tulkki; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Electron spectroscopy; UPS; XPS; photodissociation; binding energy; ionization potential; computational; electronic structure; self-consistent field; DFT; QM MM; gas phase; liquid; solution; physisorption; metallic surface; polymer; charge transfer; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

   Sammanfattning : Computational quantum chemistry methods have been applied in two particular cases: to provide insight to photoionization induced fragmentation of HgBr2 and HgCl2 molecules, and to study core-electron binding energies and chemical shifts of molecules in liquid, surface adsorbed and polymeric environments in the framework of quantum mechanics/molecular mechanics (QM/MM). In the photodissociation studies the computational work is based on the relativistic Dirac equation as the systems present strong spin-orbit interaction affecting the fragmentation processes. LÄS MER

3. 22. Electron transfer mediated by DNA

   Författare :Johan Olofsson; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ruthenium complex; light switch effect; luminescence and ps-Time Resolved Resonance Raman ps TR3 ; DNA bases; charge transfer;

   Sammanfattning : .... LÄS MER

4. 23. Angle-Dependent Electron Spectroscopy Studies of C60 Compounds and Carbon Nanotubes

   Författare :Joachim Schiessling; P. A. Brühwiler; J. Nordgren; Hans-Peter Steinrück; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; fullerenes; C60; K3C60; multi-walled carbon nanotubes; molecules; clusters; electron spectroscopy; synchrotron radiation; x-ray absorption; x-ray emission; molecular orbitals; charge transfer; electron correlation; surface physics; Fysik; Physics; Fysik;

   Sammanfattning : Fullerenes have been shown to constitute a prototypical building block for truly nanometer-sized devices and exotic nanounit-based materials, e.g., high-temperature superconductors. LÄS MER

5. 24. Surface harpooning Johan Strömquist

   Författare :Johan Strömquist; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molecular affinity; charge transfer; surface harpooning; chemiluminescence; electron emission; dissociation;

   Sammanfattning : .... LÄS MER

7. 25. Studies of Model Nanostructured Materials : Geometric and Electronic Structure, and sub-10 fs Charge Transfer Dynamics

   Författare :Joachim Schnadt; Wilfried Wurth; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

   Sammanfattning : A number of nanostructured systems has been investigated by means of Photoemission and X-ray absorption spectroscopies and by Scanning tunneling microscopy with emphasis on the geometric and electronic structure and the excited-state charge transfer dynamics. These systems comprise aromatic molecules on semiconductor surfaces (titanium dioxide), metal clusters, and an alkali-C60 compound. LÄS MER