Search for dissertations about: "theoretical modelling"

Showing result 1 - 5 of 330 swedish dissertations containing the words theoretical modelling.

  1. 1. Theoretical studies of porphyrin proteins

    University dissertation from Emma Sigfridsson, Department of theoretical Chemistry, Chemical Centre

    Author : Emma Sigfridsson; Lunds universitet.; Lund University.; [2001]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; molecular mechanics; quantum chemical calculations; electrostatic potential charges; atomic charges; ferrochelatase; cytochrome; myoglobin; Porphyrin; haem; QM MM; reorganisation energy; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Abstract : Popular Abstract in Swedish Hemoglobin, det protein som transporterar syre i blodet är förmodligen det mest välkända proteinet. Det är ett av många exempel på porfyrinproteiner, dvs. proteiner med en porfyrinring i det aktiva centrat. Porfyrinen kan binda en metalljon i mitten av ringen. READ MORE

  2. 2. Modelling Chemical Reactions Theoretical Investigations of Organic Rearrangement Reactions

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Per-Erik Larsson; Uppsala universitet.; [2003]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; Quantum Chemistry; Kvantkemi;

    Abstract : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. READ MORE

  3. 3. Electrostatic Interactions In and Between Biomolecules

    University dissertation from Theoretical Chemistry, Lund University

    Author : Mikael Lund; Lunds universitet.; Lund University.; [2006]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; quantum chemistry; Fysikalisk kemi; Physical chemistry; Protein-protein interactions; Molecular modelling; Proton binding; Protein electrostatics; Monte Carlo simulation; Charge regulation; Teoretisk kemi; kvantkemi;

    Abstract : Popular Abstract in Swedish Elektrostatiske vekselvirkninger mellem biomolekyler er vigtige, ikke bare i biologiske systemer, men også i flere tekniske sammenhænge. I denne afhandling studereres en række forskellige egenskaber, relevant for særligt proteiner. READ MORE

  4. 4. Modelling organometallic reactions : a quantum chemical study of some oxidative addition reactions

    University dissertation from Stockholm : Stockholm University

    Author : Mats Svensson; Stockholms universitet.; [1994]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Kvantkemi;

    Abstract : .... READ MORE

  5. 5. Shrinkage cracking of steel fibre reinforced self compacting concrete overlays: test methods and theoretical modelling test methods and theoretical modelling

    University dissertation from Luleå : Luleå tekniska universitet

    Author : Jonas Carlswärd; Luleå tekniska universitet.; [2006]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Structural Engineering; Konstruktionsteknik;

    Abstract : Steel fibres are often applied as crack reinforcement in overlays even though methods for the design with respect to crack widths are not yet available. Thus, the intention was for the research to form a basis for future design of overlays with respect to cracks. A main ambition was to give guidance on e.g. READ MORE