Search for dissertations about: "density"

Showing result 6 - 10 of 4564 swedish dissertations containing the word density.

  2. 6. Manganese and Iron Heterodimers and Homodimers in Enzymes : Insights from Density Functional Theory

    Author : Katarina Roos; Per Siegbahn; Margareta R. A. Blomberg; Frank Neese; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Ribonucleotide reductase; manganese; iron; density functional theory; kemisk fysik; Chemical Physics;

    Abstract : The enzyme ribonucleotide reductase (RNR) catalyzes the reduction of ribonucleotides to deoxyribonucleotides, the building blocks of DNA, and is essential for all organisms. Canonical class I RNR R2 proteins use a diiron cofactor to generate a tyrosyl radical, which is required for catalysis. READ MORE

  4. 7. Processing Methods for Reaching Full Density Powder Metallurgical Materials

    Author : Maheswaran Vattur Sundaram; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; gas atomised powder; water atomised powder; high density powder metallurgical materials; high density; master alloys; liquid phase sintering; sintering; high velocity compaction; hot isostatic pressing; additive manufacturing;

    Abstract : Powder metallurgy (PM) is one of the most cost effective methods for manufacturing structural components with complex shapes. Utilisation of the metal powder to shape the components allows to minimise material waste and increase energy efficiency. READ MORE

  5. 8. Applied density functional theory : calculating structures and energies on ribonucleotide reductase and polycyclic aromatic hydrocarbons

    Author : Kyung-Bin Cho; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : .... READ MORE

  6. 9. Cluster investigations of the extent and altitude distribution of the auroral density cavity

    Author : Love Alm; Göran T. Marklund; Tomas Karlsson; Rickard Lundin; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Auroral density cavity; auroral accelaration; Cluster; in situ observation; electron density; pseudo altitude; Physics; Fysik;

    Abstract : The auroral density cavity constitutes the boundary between the cold, dense ionospheric plasma and the hot, tenuous plasma sheet plasma. The auroral density cavity is characterized by low electron density and particle populations modified by parallel electric fields. READ MORE

  7. 10. Nonlocal Correlations in Density Functional Theory

    Author : Henrik Rydberg; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; bonding; GGA; adhesion; graphene; DFT; exchange; adsorption; LDA; first principles; polarization; vdW; determinants; correlation; graphite; surface states; van der Waals; density-functional theory; physisorption; nonlocal; functional;

    Abstract : In Density Functional Theory, the widely used local and semilocal approximations to the exchange-correlation energy, the local density approximation (LDA) and the generalized gradient approximations (GGAs), lack a physical description of truly nonlocal correlation effects, which are absolutely essential for a proper description of soft matter. A scheme is proposed that provides a basis for systematic improvements beyond LDA and GGA, including correlations at intermediate and long range, giving rise to bonds of pure van der Waals type as well as more intricate, intermediate-range correlation bonds. READ MORE