Sökning: "Physical Chemistry"

Visar resultat 1 - 5 av 1180 avhandlingar innehållade orden Physical Chemistry.

  1. 1. Chemical Properties of Oxidized Silver - A Density Functional Theory Study

    Detta är en avhandling från Chalmers University of Technology

    Författare :Simon Klacar; Chalmers tekniska högskola.; Chalmers University of Technology.; Chalmers tekniska högskola.; Chalmers University of Technology.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Fysik; Physics; Atom- och molekylfysik; Atomic and molecular physics; Kemisk fysik; Chemical physics; Molekylfysik; Molecular physics; Kondenserade materiens fysik; Condensed matter physics; Elektronstruktur; Electronic structure; Ytor och mellanytor; Surfaces and interfaces; Beräkningsfysik; Computational physics; Fysikalisk kemi; Physical chemistry; Kemisk fysik; Chemical physics; Yt- och kolloidkemi; Surface and colloid chemistry; Teoretisk kemi; Theoretical chemistry; Kvantkemi; Quantum chemistry; Teknisk fysik; Engineering physics; Materialfysik med ytfysik; Material physics with surface physics;

    Sammanfattning : .... LÄS MER

  2. 2. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

    Detta är en avhandling från Stockholm : KTH Royal Institute of Technology

    Författare :Joakim Halldin Stenlid; KTH.; [2017]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

    Sammanfattning : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. LÄS MER

  3. 3. Partial methane oxidation from electronic structure calculations

    Detta är en avhandling från Chalmers University of Technology

    Författare :Adam Arvidsson; Chalmers tekniska högskola.; Chalmers University of Technology.; [2017]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Mo6S8 cluster; partial methane oxidation; ZSM-5 zeolite; density functional theory; microkinetic modelling;

    Sammanfattning : Investigating catalytic reactions with computational methods is a powerful approach to understand fundamental aspects of catalytic reactions and find ways to guide catalytic design. Partial methane oxidation is one example of a reaction with intriguing challenges, where a detailed atomistic approach may help to unravel the bottlenecks of this, as of yet, inefficient reaction. LÄS MER

  4. 4. Multifunctional Carbon Foams by Emulsion Templating Synthesis, Microstructure, and 3D Li-ion Microbatteries

    Detta är en avhandling från Uppsala : Acta Universitatis Upsaliensis

    Författare :Habtom Desta Asfaw; Uppsala universitet.; [2017]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Battery; Carbon; Electrochemical; Electrodeposition; Emulsion; Energy; Exfoliation; Foam; Lithium; Microbattery; Multifunctional; Nanoparticles; Polyaniline; Polymer; Power; Sol-gel; Storage; Structured; Three-dimensional; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Sammanfattning : Carbon foams are among the existing electrode designs proposed for use in 3D Li-ion microbatteries. For such electrodes to find applications in practical microbatteries, however, their void sizes, specific surface areas and pore volumes need be optimized. LÄS MER

  5. 5. Alkylglucosides - physical chemical properties

    Detta är en avhandling från Uppsala : Acta Universitatis Upsaliensis

    Författare :Frederik Nilsson; Lunds universitet.; Lund University.; [1998]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; penetration experiment; DSC; SAXS; NMR self-diffusion; phase separation; size micro-structure; aggregate-aggregate interaction; liquid crystalline phases; micelles; alkylglucosides; phase diagrams; fluorescence.; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The aim of this study is to characterise the physical-chemical properties of alkylglucosides. Alkylglucosides are non-ionic surfactants synthesized from glucose and a fatty alcohol. The glucose molecule constitutes the hydrophilic head group and the fatty alcohol constitutes the hydrophobic tail. LÄS MER