Barbara Kirchner
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Carboxylic Acid Co-Catalysts Facilitate N-Heterocyclic Carbene Organocatalysis Through Proton Relay and Polarization Effects
1 Introduction Due to their versatility and selectivity, organocatalytic processes offer valuable alternatives to transition metal catalysis for synthetic strategies, while avoiding the use of toxic and costly heavy metals [1-5]. One of the most prominent families of organocatalysts is azolium salts, the reactions of which are generally explained through their ability to produce N-heterocyclic carbenes (NHCs).
Computational modeling of Li-ion transport in composite solid-state electrolytes : Significance and adequacy
Nyckelord: NATURVETENSKAP; NATURAL SCIENCES; Li-ion transport; Interface; Ion phase exchange; Interfacial ion distribution; Composite solid electrolytes; Solid polymer electrolytes; LLZO; PEO; Force field molecular dynamics; Atomistic simulations; Multiscale modelling; Interdisciplinary battery research; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry; Sammanfattning: This thesis investigates computational modeling of Li-ion transport in...
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