Search for dissertations about: "NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry"

Showing result 1 - 5 of 177 swedish dissertations containing the words NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry.

  1. 1. Quantum photoelectrochemistry : Theoretical studies of organic adsorbates on metal oxides surfaces

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Petter Persson; Uppsala universitet.; [2000]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; Quantum Chemistry; kvantkemi; Quantum chemistry; Quantum chemistry; photoelectrochemistry; metal oxide surfaces; organic adsorbates; Kvantkemi;

    Abstract : Interactions between organic molecules and transition metal oxide surfaces have been investigated by means of quantum chemical calculations. The studies have been aimed at understanding electrode-adsorbate interactions in photoelectrochemical devices, such as dye-sensitized solar cells. READ MORE

  2. 2. Theoretical Photochemistry Halogenated Arenes, Phytochromobilin, Ru(II)polypyridyl complexes and 6-4 photoadducts

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Anders Borg; Sten Lunell; Hans Karlsson; Luis Serrano-Andrés; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Quantum Chemistry; Halogenated Arenes; Phytochromobilin; Phytochrome; Ruthenium; 6-4 photoadducts; Photochemistry; Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi;

    Abstract : This thesis presents Quantum Chemical calculations on the Photochemistry of Halogenated benzenes, Phytochromobilin, Ruthenium Polypyridyl complexes and 6-4 photoadducts in DNA. The work is focused on improving the understanding of a number of experimentally observed photochemical processes in these systems. READ MORE

  3. 3. Quantum optics in constrained geometries

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Björn Hessmo; [2000]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; quantum optics; atom optics; complementarity; magnetic traps; laser cooling; quantum information; quantal phases; Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; Quantum Chemistry; kvantkemi;

    Abstract : When light exhibits particle properties, and when matter exhibits wave properties quantum mechanics is needed to describe physical phenomena. A two-photon source produces nonmaximally entangled photon pairs when the source is small enough to diffract light. It is shown that diffraction degrades the entanglement. READ MORE

  4. 4. Biomimetic Iron Complexes involved in Oxygenation and Chlorination A Theoretical Study

    University dissertation from Stockholm : Department of Physics, Stockholm University

    Author : Holger Noack; Margareta R. A. Blomberg; Per E. M. Siegbahn; Martin Kaupp; [2010]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; biomimetic; iron; density functional theory; intradiol; chlorination; adpic acid; diamond core; reactivity; NATURAL SCIENCES Chemistry Inorganic chemistry Bio-inorganic chemistry; NATURVETENSKAP Kemi Oorganisk kemi Bio-oorganisk kemi; NATURAL SCIENCES Chemistry Theoretical chemistry; NATURVETENSKAP Kemi Teoretisk kemi; Chemical Physics; kemisk fysik;

    Abstract : Biomimetic chemistry is directed towards the simulation of enzymatic reactivity with synthetic analogues. In this thesis a quantum chemical method has been employed to study the mechanism of highly reactive iron-oxo complexes involved in oxygenation and chlorination of organic substrates. READ MORE

  5. 5. 5-Aminolevulinic acid and derivatives thereof properties, lipid permeability and enzymatic reactions

    University dissertation from Örebro : Örebro universitet

    Author : Edvin Erdtman; Leif Eriksson; Tore Brinck; [2010]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; 5-Aminolevulinic acid; tautomerization; PDT; DFT; MM; QM MM; Porphobilinogen synthase; Uroporphyrinogen III decarboxylase; membrane penetration; enzyme mechanism; NATURAL SCIENCES Chemistry Physical chemistry Biophysical chemistry; NATURVETENSKAP Kemi Fysikalisk kemi Biofysikalisk kemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry; NATURVETENSKAP Kemi Teoretisk kemi; Fysikalisk kemi; Physical Chemistry; Biochemistry; Biokemi;

    Abstract : 5-aminolevulinic acid (5-ALA) and derivatives thereof are widely usedprodrugs in treatment of pre-malignant skin diseases of the cancer treatmentmethod photodynamic therapy (PDT). The target molecule in 5-ALAPDTis protoporphyrin IX (PpIX), which is synthesized endogenously from5-ALA via the heme pathway in the cell. READ MORE