Electronic and magnetic interactions in single molecular and atomic contacts
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This thesis addresses advances in the field of computational Nuclear Magnetic Resonance (NMR) with two specific objectives: 1) developing an approach enabling the direct probing of intramolecular electronic effects on molecular properties; 2) assessing and ...
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The magnetic structures adopted by the Fe and Sm sublattices in SmFeAsO have been investigated using element-specific x-ray resonant and nonresonant magnetic scattering techniques. Between 110 and 5 K, the Sm and Fe moments are aligned along the c and a di ...
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Organic small molecules are of particular interest for medicinal chemistry since they comprise many biologically active compounds which are potential drugs. To understand this vast chemical space, we are enumerating all possible organic molecules to create ...
In this thesis, the magnetic properties of self-assembled 3d and 4d metal nano-structures supported on surfaces have been investigated. The atomic coordination within the nano-structures was found to profoundly affect important quantities such as the magne ...
In this study, we measured the temperature-dependent magnetic susceptibility [chi(T)], ac magnetic susceptibility [chi(ac)(T)], specific heat [C-p(T)], and high-field magnetization [M(H)] of a newly synthesized single-crystalline material, Co3TeO6. Two tra ...
The long-standing mystery surrounding the peculiar electronic structure of norbornene and its derivatives is revealed by the direct comparisons of their properties with those of reference analogues with localized double bonds (i.e. Lewis structures). Our b ...
Magnetic core shell nanoparticles (MCSNPs) 30 nm diameter with a magnetic weight of 10% are usually much too small to be trapped in microfluidic systems using classical external magnets. Here, a simple microchip for efficient MCSNPs trapping and release is ...