Search for dissertations about: "Solvent models"
Showing result 1 - 5 of 62 swedish dissertations containing the words Solvent models.
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1. Theoretical Actinide Chemistry – Methods and Models
Abstract : The chemistry of actinides in aqueous solution is important, and it is essential to build adequate conceptual models and develop methods applicable for actinide systems. The complex electronic structure makes benchmarking necessary. READ MORE
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2. Coarse-Grained Models of Ionic Solutions
Abstract : Room-temperature ionic liquids (RTILs) are compounds composed entirely of ions, which are liquid at temperatures below 100 degrees Celsius. Their high ionic strength and strong coupling make them useful for a number of applications, e.g. as electrolytes in supercapacitors. READ MORE
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3. Theoretical Studies Using Simple Ionic Liquid Models
Abstract : Room Temperature Ionic Liquids (RTILs) are organic salts that melt below 100 degrees Celsius. The advantages of RTILs, such as high ionic concentrations and low melting points, promote several potential applications. For instance, RTILs could be utilized in manufacturing energy storage devices, and as efficient solvents. READ MORE
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4. Double Layer Forces: the Role of Molecular Solvents
Abstract : The dielectric continuum model has rightfully been and continues to be a major workhorse for theory and modelling in Surface and Colloid Chemistry. Due to the implicit description of water, entering only as a scaling constant for charge-charge interactions, one would not expect it to work for short distances. READ MORE
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5. A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them
Abstract : En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. READ MORE