Related papers: Virtual spectrometer for radicals vibrations. 1. P…
Compressive Raman is a recent framework that allows for large data compression of microspectroscopy during its measurement. Because of its inherent multiplexing architecture, it has shown imaging speeds considerably higher than conventional…
The method for evaluation of inclusive electron scattering observables in the resonance region from the experimental data is presented. The computer codes in the web page allow user to evaluate inclusive electron scattering, virtual…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
Interferometric scattering microscopy is a powerful technique that enables various applications, such as mass photometry and particle tracking. Here we present a numerical toolbox to simulate images obtained in interferometric scattering,…
Selective reflection is a high-resolution spectroscopic method that allows the probing of atomic and molecular gases in the near field of dielectric cell windows. It is a sensitive technique for measuring interactions between excited atoms…
Laser spectroscopy of hot atomic vapours has been studied extensively. Theoretical models that predict the absolute value of the electric susceptibility are crucial for optimising the design of photonic devices that use hot vapours, and for…
Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a M\"ossbauer active metal…
The vibrational behavior of molecules serves as a crucial fingerprint of their structure, chemical state, and surrounding environment. Neutron vibrational spectroscopy provides comprehensive measurements of vibrational modes without…
Molecular self-assembly, the function of biomembranes, and the performance of organic solar cells rely on molecular interactions on the nanoscale. The understanding and design of such intrinsic or engineered heterogeneous functional soft…
We present the first high-resolution measurements and rotational analysis of the fundamental asymmetric stretching vibrational band ${\nu_3}(F_2)$ of radiocarbon methane. A spectrometer consisting of a mid-infrared continuous-wave optical…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…
The infrared bar-spectrum of a single ammonia molecule encapsulated in nano-cage C$_{60}$ fullerene molecule is modelled using the site inclusion model successfully applied to analyze spectra of CO$_2$ isotopologues isolated in rare gas…
New type of radiation in crystals is predicted and investigated in computer simulation. It is shown that process of volume reflection of electrons and positrons in bent crystals is accomplished with high-power radiation of photons. Volume…
Vibrational optical spectroscopies can be enhanced by surface plasmons to reach molecular-sized limits of detection and characterization. The level of enhancement strongly depends on microscopic details of the sample that are generally…
Glasses show vibrational properties that are markedly different to those of crystals which are known as phonons. For example, excess low-frequency modes (the so-called boson peak), vibrational localization, and strong scattering of phonons…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…
We study the potential of graphene plasmons for spectrometer-free sensing based on surface-enhanced infrared absorption and Raman scattering. The large electrical tunability of these excitations enables an accurate identification of…
We have obtained experimentally the low frequency Raman spectra of p-dihlorbenzol nanoparticles. Nanoparticle sizes are determined with the help of electron microscope. It was found that in the lattice vibration spectra from 70 nm the…
A new approach to the technique of scanning by wires is developed. Novelty of the method is that the wire heating quantity is used as a source of information about the number of interacting particles. To increase the accuracy and…
In this paper we report a spectrometric approach to dual-energy digital radiography that has been developed and applied to identify specific organic substances and discern small differences in their effective atomic number. An experimental…