Sökning: "NATURVETENSKAP Kemi Teoretisk kemi Statistisk mekanik"

Hittade 5 avhandlingar innehållade orden NATURVETENSKAP Kemi Teoretisk kemi Statistisk mekanik.

  1. 1. Small and Large, Charged Molecules in Solution and at Interfaces

    Detta är en avhandling från Lund University

    Författare :Giulio Tesei; Lund University.; Lunds universitet.; [2018-08]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular modeling; MD simulations; statistical mechanics; SAXS; QCM-D; Hofmeister series; amyloid fibril; lipid bilayer; cell-penetrating peptide; molekylär modellering; MD simuleringar; MC simuleringar; statistisk mekanik; SAXS; QCM-D; amyloidfibriller; cellmembran; cellpenetrerande peptider;

    Sammanfattning : The influence of small and large, charged molecules on the properties of aqueous interfaces has important implications in chemistry, biology, and medicine. For example, at the surface of marine aerosols, the presence of halide anions and tropospheric gases gives way to multiphase chemical reactions affecting climate and air quality. LÄS MER

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

    Detta är en avhandling från Avdelningen för teoretisk kemi

    Författare :Anders Öhrn; Lund University.; Lunds universitet.; [2008]
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  3. 3. Simulations of Simple Fluids and Surface Forces

    Detta är en avhandling från Department of Chemistry, Lund University

    Författare :Martin Trulsson; Lund University.; Lunds universitet.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular modeling; Surface Forces; Dielectric Constant; Charge Capacitance; Charge Regulation; Hypersphere; Statistical mechanics; Intermolecular interactions; Col- loidal Stability; Simulations; Fluids;

    Sammanfattning : A considerable part of all chemistry in nature and in industry occurs in solvents. Sol- vents affect both the interactions and the reactions of the particles immersed in them. The work in this thesis concerns the properties of ionic and polar solvents, as well as the interactions between solutes and/or dispersed particles. LÄS MER

  4. 4. Structure and Phase Behavior of Protein Solutions

    Detta är en avhandling från Department of Chemistry, Lund University

    Författare :Björn Persson; Lund University.; Lunds universitet.; Lund University.; Lunds universitet.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Statistical Mechanics; Simulations; Protein Interactions; Phase Separation; Aggregation; Mutual Amplification;

    Sammanfattning : The complexity of proteins is reflected in the structure of their fluids. This is seen from strongly inhomogeneous distributions about the single protein. Using molecular simulations of protein models, based on experimental structures, the present work probes the directional forces between proteins. LÄS MER

  5. 5. Prediction, modeling, and refinement of protein structure

    Detta är en avhandling från Stockholm : Department of Biochemistry and Biophysics, Stockholm University

    Författare :Per Larsson; Stockholms universitet.; [2010]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Protein structure prediction; Multiple alignments; Quality assessment; Molecular dynamics; Implicit solvent; Refinement; NATURAL SCIENCES Biology Other biology Bioinformatics; NATURVETENSKAP Biologi Övrig biologi Bioinformatik; NATURAL SCIENCES Chemistry Theoretical chemistry Bioinformatics; NATURVETENSKAP Kemi Teoretisk kemi Bioinformatik; NATURAL SCIENCES Chemistry Theoretical chemistry Statistical mechanics; NATURVETENSKAP Kemi Teoretisk kemi Statistisk mekanik; Biochemistry; biokemi;

    Sammanfattning : Accurate predictions of protein structure are important for understanding many processes in cells. The interactions that govern protein folding and structure are complex, and still far from completely understood. However, progress is being made in many areas. Here, efforts to improve the overall quality of protein structure models are described. LÄS MER