Sökning: "chemical shifts"

Visar resultat 1 - 5 av 133 avhandlingar innehållade orden chemical shifts.

  1. 1. Theoretical and Experimental Studies of Electrode and Electrolyte Processes in Industrial Electrosynthesis

    Författare :Rasmus Karlsson; Ann Cornell; Jan Rossmeisl; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Electrocatalysis; metallic oxides; ruthenium dioxide; titanium dioxide; DSA; doping; selectivity; ab initio modeling; density functional theory; Elektrokatalys; metalloxider; ruteniumdioxid; titandioxid; DSA; dopning; selektivitet; ab initio-modellering; täthetsfunktionalteori; Chemical Engineering; Kemiteknik;

    Sammanfattning : Heterogeneous electrocatalysis is the usage of solid materials to decrease the amount of energy needed to produce chemicals using electricity. It is of core importance for modern life, as it enables production of chemicals, such as chlorine gas and sodium chlorate, needed for e.g. materials and pharmaceuticals production. LÄS MER

  2. 2. Methane oxidation over palladium oxide. From electronic structure to catalytic conversion

    Författare :Maxime van den Bossche; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; core-level spectroscopy; heterogeneous catalysis; PdO 101 ; palladium oxide; methane oxidation; microkinetic modelling; density functional theory;

    Sammanfattning : Understanding how catalysts work down to the atomic level can provide ways to improve chemical processes on which our contemporary economy is heavily reliant. The oxidation of methane is one such example, which is important from an environmental point of view. LÄS MER

  3. 3. Deciphering Carbohydrate Structure : From NMR Chemical Shifts to Conformational Analysis

    Författare :Kevin M. Dorst; Göran Widmalm; Martina Delbianco; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR chemical shift prediction; Structural elucidation; Conformational studies; NMR spectroscopy; MD simulations; Organic Chemistry; organisk kemi;

    Sammanfattning : Carbohydrates are ubiquitous in nature and exhibit a multitude of roles. Besides nucleic and amino acids, they can be regarded as the third alphabet of life. They are used as energy source to fuel the cells, as structural building blocks and play a key role in cellular recognition processes. LÄS MER

  4. 4. Chloromethane Complexation by Cryptophanes : Host-Guest Chemistry Investigated by NMR and Quantum Chemical Calculations

    Författare :Zoltan Takacs; Jozef Kowalewski; Mikael Akke; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Host–guest complexes; inclusion phenomenon; cryptophanes; NMR; kinetics; activation energy; dipolar interaction; exchange; quantum chemical optimization; calculated chemical shifts; NOESY; cavity size; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : Host–guest complexes are widely investigated because of their importance in many industrial applications. The investigation of their physico–chemical properties helps understanding the inclusion phenomenon. The hosts investigated in this work are cryptophane molecules possessing a hydrophobic cavity. LÄS MER

  5. 5. Application of Chemical Additives in Minerals Beneficiation – Implications on Grinding and Flotation Performance

    Författare :Vitalis Chipakwe; Saeed Chehreh Chelgani; Jan Rosenkranz; Tommy Karlkvist; Irina Chernyshova; Luleå tekniska universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Energy; Grinding aid; Flowability; Dry grinding; FT4 Powder Rheometer; Surface properties; Rheology; Flotation; Polymers; Surface chemistry; Green Chemistry; Mineral Processing; Mineral Processing; Mineralteknik;

    Sammanfattning : The application of chemical additives, known as grinding aids (GAs), dates to 1930 in the cement industry. Unlike the cement industry, where the use of GAs is in the final processing step, it could be one of the first processing steps in ore beneficiation. LÄS MER