Sökning: "linear free energy relation"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden linear free energy relation.

1. 1. Free Volume Depth Profiling at Polymer Surfaces and Interfaces

   Författare :John Algers; Centrum för analys och syntes; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biopolymers; Polymerteknik; Polymer technology; polymer interfaces; polymer surfaces; positron lifetime; free volume;

   Sammanfattning : Pulsed low energy positron beams provide a unique and non-destructive tool to depth probe the free volume of polymers at surfaces and interfaces. Since the employment of low energy positron beams in polymer research is an emerging technique, some focus in this thesis has been on extracting methods and equations needed to interpret the experimental data. LÄS MER

3. 2. Emissions of organic compounds from technosphere articles : Measurements and modeling of mass transfer from consumer goods and building materials to air and water

   Författare :Tomas Holmgren; Peter Haglund; Martin Scheringer; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Emission; model; DINP; DINCH; TiBP; TPP; Vinyl flooring; flat screen displays; LCD screen; concrete; Abraham solvation parameters; Piringer equation; linear free energy relation;

   Sammanfattning : This thesis describes the development of a generic model for predicting the emissions of organic compounds from materials used in the manufacture of various goods and products. Many products contain organic substances that are not bound to the matrix formed by their constituent materials and are thus able to dissociate from the material and become transferred into the surrounding environment. LÄS MER

4. 3. Structure-Reactivity Correlations for Reactions of Palladium(II) and Platinum(IV) Complexes

   Författare :Tiesheng Shi; Kemiska institutionen; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; thiol; l-methionine; maleic acid; carboxylic acid; thioether; platinum IV ; palladium II ; linear free energy relationship; volumes of activation; structure-reactivity correlation; reduction; substitution; equilibria; kinetics; mechanism; glutathione; Animal physiology; Djurfysiologi;

   Sammanfattning : The kinetics and mechanism for substitution reactions on tetraaquapalladium(II) by an extended series of thioethers, a great number of carboxylic acids, and olefins have been studied by use of UV-VIS, stopped-flow, and high-pressure stopped-flow spectrophotometry and NMR spectroscopy. Second-order rate constants k and activation parameters (activation enthalpies, entropies, and volumes) for formation of monodentate 1:1 complexes have been determined. LÄS MER

5. 4. Assessment of Computational Methods for Ligand Binding

   Författare :Paulius Mikulskis; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinities; MM GBSA; MM PBSA; LIE; FEP; TI; BAR; protein-ligand complexes; drug design;

   Sammanfattning : Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. LÄS MER

7. 5. Hot-wall MOCVD for advanced GaN HEMT structures and improved p-type doping

   Författare :Alexis Papamichail; Vanya Darakchieva; Anelia Kakanakova-Gueorguieva; Jr-Tai Chen; Zlatko Sitar; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Hot-wall MOCVD; III-nitrides; p-type GaN; HEMTs; Linearity; High-Al barrier;

   Sammanfattning : The transition to energy efficient smart grid and wireless communication with improved capacity require the development and optimization of next generation semiconductor technologies and electronic device components. Indium nitride (InN), gallium nitride (GaN) and aluminum nitride (AlN) compounds and their alloys are direct bandgap semiconductors with bandgap energies ranging from 0. LÄS MER