BaVS3 probed by V L edge x-ray absorption spectroscopy

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BackgroundLarge-scale datasets of protein structures and sequences are becoming ubiquitous in many domains of biological research. Experimental approaches and computational modelling methods are generating biological data at an unprecedented rate. The deta ...

Nanoparticles (NPs) in the biological environment are exposed to a large variety and concentration of proteins. Proteins are known to adsorb in a 'corona' like structure on the surface of NPs. In this study, we focus on the effects of surface compositional ...

In materials with nearly commensurate band filling the electron liquid may spontaneously separate into components with distinct properties, yielding complex intra- and interunit cell ordering patterns and a reduced dimensionality. Polarization-dependent an ...

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

The far-UV spectral window widely used for the conformational analysis of biomolecules is not easily covered with broad-band lasers. This has made it difficult to use circular dichroism (CD) spectroscopy to directly follow fast structure changes. By combin ...

Understanding and controlling the electronic structure of thin layers of quantum materials is a crucial first step towards designing heterostructures where new phases and phenomena, including the metal-insulator transition (MIT), emerge. Here, we demonstra ...

The conformations of a number of M2TMP-(22-46) sequence variants have been investigated using ion mobility spectrometry (IMS). Substantial conformational changes were evidenced by IMS upon the variation of a single amino acid in the peptide sequence, with ...

The principal aim of this thesis is to gain a better understanding of the competition between magnetic and quadrupolar degrees of freedom on two-dimensional lattices. Recent experimental investigations of the material NiGa2S4 revealed several anomalous pro ...

Transmission through a (100)-oriented single crystal of bismuth ferrite (BiFeO3) was studied at frequencies of 0.485-0.765 THz with a continuous-wave source and in the temperature range of 30-350 K as a function of polarization angle. The fine splitting of ...

Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...

We have measured a vibrationally-resolved UV spectrum of doubly-protonated gramicidin S (GS) in the gas phase and, subsequently, a highly-resolved, conformer-specific infrared spectra in the 6 μm fingerprint region, using a cold ion trap in combination wit ...

Detection and differentiation of enantiomers in small quantities are crucially important in many scientific fields, including biology, chemistry, and pharmacy. Chiral molecules manifest their handedness in their interaction with the chiral state of light ( ...

Anatase TiO2 (a-TiO2) exhibits a strong x-ray absorption linear dichroism in the pre-edge, the XANES and the EXAFS at the titanium K edge. In the pre-edge region, the behavior of the A1-A3 and B peaks originating from the 1s - 3d transitions is due to the ...

Molecular self-assembly at metal surfaces has been recognized as an efficient strategy to create supramolecular nanoarchitectures with promising functionalities. The focus of this thesis lies on the strong electron accepting molecule 7,7,8,8-tetracyanoquin ...

BaVS3 probed by V L edge x-ray absorption spectroscopy

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rstoolbox - a Python library for large-scale analysis of computational protein design data and structural bioinformatics

Protein-nanoparticle interactions: the effects of surface compositional and structural heterogeneity are scale dependent

Polarization dependence of angle-resolved photoemission with submicron spatial resolution reveals emerging one-dimensionality of electrons in NbSe3

To bend or not to bend, the dilemma of multiple bonds

Broad-Band Ultraviolet CD Spectroscopy of Ultrafast Peptide Backbone Conformational Dynamics

Electronic localization in CaVO3 films via bandwidth control

Structural Preferences of Gas-Phase M2TMP Monomers upon Sequence Variations

Quadrupolar Ordering in Two-Dimensional Spin-One Systems

Terahertz-optical properties of a bismuth ferrite single crystal

Photophysics and Photochemistry from First Principles : Applications to Problems in Materials Science and Biology

Highly-resolved Spectra of Gas-phase Gramicidin S: A Benchmark for Peptide Structure Calculations

Accessible Superchiral Near-Fields Driven by Tailored Electric and Magnetic Resonances in All-Dielectric Nanostructures

X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals

TCNQ-based Supramolecular Architectures at Metal Surfaces