Search for dissertations about: "ground state"
Showing result 1 - 5 of 414 swedish dissertations containing the words ground state.
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1. Ground and Excited State Aromaticity : Design Tools for π-Conjugated Functional Molecules and Materials
Abstract : The main focus of this thesis is on the aromaticity of the ground state and electronically excited states of π-conjugated molecules and polymers, as well as how aromaticity is connected to their properties.The electronic structures of polybenzenoid hydrocarbons (PBHs) were explored through density functional theory (DFT) calculations and the π-component of the electron localization function (ELFπ). READ MORE
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2. Excited State Aromaticity and Antiaromaticity : Fundamental Studies and Applications
Abstract : The central theme of this thesis is the ability to tune various molecular properties by controlling and utilizing aromaticity and antiaromaticity in the lowest electronically excited states. This investigation is based on qualitative theory, quantum chemical (QC) calculations and experimental work. READ MORE
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3. Theoretical Studies of Ground and Excited State Reactivity
Abstract : To exemplify how theoretical chemistry can be applied to understand ground and excited state reactivity, four different chemical reactions have been modeled. The ground state chemical reactions are the simplest models in chemistry. To begin, a route to break down halomethanes through reactions with ground state cyano radical has been selected. READ MORE
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4. Design of ground source heat pump systems. Thermal modelling and evaluation of boreholes
Abstract : Ground source heat pump systems are fast becoming state-of-the-art technology to meet the heating and cooling requirements of the buildings. These systems have high energy efficiency potential which results in environmental and economical advantages. READ MORE
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5. The justification and legitimacy of the active welfare state : some philosophical aspects
Abstract : This thesis has two aims. The first aim is to set out an argument for social insurance in the form of compulsory income insurance in the event of sickness or unemployment, and to explore two lines of arguments for social insurance policies that are commonly associated with an active welfare state that seeks to prevent or reduce reliance on social insurance. READ MORE