Search for dissertations about: "quantum chemistry"

Showing result 1 - 5 of 322 swedish dissertations containing the words quantum chemistry.

  1. 1. Development and Application of a First Principle Molecular Model for Solvent Effects

    University dissertation from Avdelningen för teoretisk kemi

    Author : Anders Öhrn; Lund University.; Lunds universitet.; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; magnetisk resonans; Fysikalisk kemi; Physical chemistry; gränsskikt; Ytkemi; Surface and boundary layery chemistry; spektroskopi; egenskaper elektriska; magnetiska och optiska ; supraledare; Kondenserade materiens egenskaper:elektronstruktur; spectroscopy; relaxation; magnetic resonance; supraconductors; magnetic and optical properties; Kemi; Condensed matter:electronic structure; electrical; Solvent model; Solvochromatic shift; Chemistry; Solvent effects; Solvation; Intermolecular interactions; Quantum chemistry; Statistical mechanics;

    Abstract : A considerable part of chemistry in nature and industry, takes place in an environment of other molecules. Reactions, transitions, interactions or other chemical processes are almost always modified by the environment. READ MORE

  2. 2. 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

  3. 3. Quantum optics in constrained geometries

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Björn Hessmo; Uppsala universitet.; [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. Quantum Chemical Interpretation of Protein Crystal Structure

    University dissertation from Theoretical Chemistry, Lund University

    Author : Kristina Nilsson; Lund University.; Lunds universitet.; [2003]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; structure; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; protein; ComQum-X; Hess2FF; QM MM; hetero-compound; metal; oxidation state; protonation; force field; quantum refinement; refinement;

    Abstract : An initial model in the crystallographic structure determination process, usually contains many errors. To produce an accurate model, one must carry out several cycles of crystallographic refinement. READ MORE

  5. 5. Quantum Dynamics of Molecular Systems and Guided Matter Waves

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Mauritz Andersson; Uppsala universitet.; [2001]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; quantum dynamics; femtosecond spectroscopy; photoelectron spectroscopy; resonances; nonadiabatic interaction; coherent state representation; adaptive numerical method; Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; Quantum Chemistry; kvantkemi;

    Abstract : Quantum dynamics is the study of time-dependent phenomena in fundamental processes of atomic and molecular systems. This thesis focuses on systems where nature reveals its quantum aspect; e.g. in vibrational resonance structures, in wave packet revivals and in matter wave interferometry. READ MORE