Sökning: "chemical benchmarking"
Visar resultat 6 - 10 av 16 avhandlingar innehållade orden chemical benchmarking.
6. First principles simulations of electron transport at the molecule-solid interface
Sammanfattning : In this thesis I concentrate on the description of electron transport properties of microscopic objects, including molecular junctions and nano junctions, in particular, inelastic electron tunneling in surface-adsorbate systems are examined with more contemplations. Boosted by the rapid advance in experimental techniques at the microscopic scale, various electric experiments and measurements sprung up in the last decade. LÄS MER
7. Asymmetric Synthesis using Redox-Active Diazocompounds as Chiral Carbon Atom Precursors
Sammanfattning : This thesis summarizes the development of general and efficient methods to synthesize enantiomerically enriched cyclopropane compounds. The works reported herein exploit the opportunity presented by redox-active esters to explore the orthogonality between asymmetric carbene-transfer and geminal radical generation. LÄS MER
8. An Experimental and Theoretical Study of the Mass Transport in Lithium-Ion Battery Electrolytes
Sammanfattning : Lithium‐ion batteries are particularly suitable as energy storage solutions in high power applications, such as hybrid electric vehicles. It is generally considered that one of the processes that limit the power density for lithium‐ion batteries is the mass transport in the electrolyte. LÄS MER
9. Assessing the structural and dynamical properties of concentrated solutions of the disordered proteins Histatin 5 and its tandem repeat
Sammanfattning : Intrinsically disordered proteins are distinguished by a lack of distinct three-dimensional structure, existing instead as an ensemble of heterogenous structures. In this research, the effect of crowding on these proteins is investigated using a combined approach of experiment and computer simulation, mainly using coarse-grained simulation models to make simulation computationally feasible at the high concentration conditions crowding is displayed. LÄS MER
10. Functional Nanocellulose–Tannin Materials Inspired by Nature and Traditional Processes
Sammanfattning : Renewable and biodegradable alternatives to fossil-based materials are essential as concerns over depleting finite resources and the pollution of our ecosystems are growing. Abundant, highly anisotropic, and mechanically strong cellulose nanofibrils (CNF) are attractive building blocks for the fabrication of high-performance biobased materials that can compete with their conventional fossil-based counterparts. LÄS MER
