Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids

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Electron-rich organocerium complexes (C5Me4H)(3)Ce and [(C5Me5)(2)Ce(ortho-oxa)], with redox potentials E-1/2 = -0.82 V and E-1/2 = -0.86 V versus Fc/Fc(+), respectively, were reacted with fullerene (C-60) in different stoichiometries to obtain molecular m ...

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical functionalities o ...

DEMO will have a limited diagnostic set for optimization of reactor performance, and limited diagnostic coverage due to challenging reactor conditions. This poses challenges for control, especially for detachment control which is planned to be performed wi ...

Fluorescent probes are an indispensable tool in the realm of bioimaging technologies, providing valuable insights into the assessment of biomaterial integrity and structural properties. However, incorporating fluorophores into scaffolds made from melt elec ...

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

Nowadays, Liquid Composite Molding techniques are often used to manufacture high quality fiber reinforced composite parts at a relatively low cost. These involve an infiltration process, in which a liquid resin is forced to ingress into a dry fibrous porou ...

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

Crosstalk between fluorescent biomarkers significantly limits the resolution of multispectral fluorescence analysis in real-time droplet-microfluidics applications. The crosstalk is a result of overlapping emission and excitation spectra of different fluor ...

The motion of atoms is at the heart of any chemical or structural transformation in molecules and materials. Upon activation of this motion by an external source, several (usually many) vibrational modes can be coherently coupled, thus facilitating the che ...

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fr ...

This work focusses on the pilot run of a simulation campaign aimed at investigating the spectroscopic capabilities of the Euclid NearInfrared Spectrometer and Photometer (NISP), in terms of continuum and emission line detection in the context of galaxy evo ...

Many photonic and electronic molecular properties, as well as chemical and biochemical reactivities are controlled by fast intramolecular vibrational energy redistribution (IVR). This fundamental ultrafast process limits coherence time in applications from ...

The geometry of biomolecules isolated in the gas phaseusuallydiffers substantially from their native structures in aqueous solution,which are the only ones truly relevant to life science. To connectthe high resolution of cold ion spectroscopy that can be a ...

Optical parametric oscillators enable the conversion of pump light to new frequency bands using nonlinear optical processes. Recent advances in integrated nonlinear photonics have led to the creation of compact, chip-scale sources via Kerr-nonlinearity-ind ...

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

Magnetic skyrmions are whirl-like spin configurations with particle-like properties protected by non-trivial topology. Due to their unique spin structures and dynamical properties, they have attracted tremendous interests over the past decade, from fundame ...

In this article we revisit our recent picosecond and femtosecond X-ray absorption spectroscopy (XAS) and X-ray emission spectroscopy (XES) experiments, probing the ultrafast electronic and geometric evolution of photoexcited haem proteins, namely ferrous N ...

Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids

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Realization of Organocerium-Based Fullerene Molecular Materials Showing Mott Insulator-Type Behavior

Applications of the thawed Gaussian approximation to electronic spectroscopy

Light Emission and Conductance Fluctuations in Electrically Driven and Plasmonically Enhanced Molecular Junctions

Demonstration of a sparse sensor placement technique to the limited diagnostic set in a fusion power plant

[n]Cycloparaphenylenes as Compatible Fluorophores for Melt Electrowriting

Photogeneration of Hydrogen: Insights from a Pt(II)-Complex Incorporated into a Covalent Organic Framework

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Visualization and modelling of dynamic flow in fibrous preforms for liquid composite molding

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Fluorescence crosstalk reduction by modulated excitation-synchronous acquisition for multispectral analysis in high-throughput droplet microfluidics

Imaging and controlling coherent phonon wave packets in single graphene nanoribbons

A data-driven interpretation of the stability of organic molecular crystals

Euclid preparation XXX. Performance assessment of the NISP red grism through spectroscopic simulations for the wide and deep surveys

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

Voltage-tunable optical parametric oscillator with an alternating dispersion dimer integrated on a chip

Advancing first principle-based molecular dynamics of biological systems with machine learning

Real space and reciprocal space investigations of the spin dynamics in skyrmion-hosting materials

Ultrafast X-ray Spectroscopy of Haem Proteins