• The time-resolved, laser-based methods developed by Hans Jakob Wörner, such as so-called high-harmonic spectroscopy, first made it possible to observe the dynamics of atomic nuclei and electrons in a molecule during a chemical reaction in real time. (fu-berlin.de)
  • He used nuclear magnetic resonance spectroscopy to determine the structure of molecules. (wikipedia.org)
  • He was active in researching molecular and solid-state structure, using infrared (IR) and radio frequency spectroscopy, and doing pioneering work with nuclear magnetic resonance and electron paramagnetic resonance. (wikipedia.org)
  • During this phase of his research career, he used Fourier transform microwave spectroscopy to study the activity of small, weakly bonded molecules in the gas phase. (wikipedia.org)
  • Electron binding motifs in cluster anions of primary amides, (acetamide) n - and (propionamide) n - , were studied with photoelectron spectroscopy. (elsevierpure.com)
  • Single-molecule spectroscopy can be an effective tool to probe heterogeneity because molecular species can be observed one at a time, so individual oligomers can be detected without separation. (biorxiv.org)
  • In this initial study, we combine single-molecule Förster resonance energy transfer (FRET) spectroscopy, fluorescence lifetime imaging (FLIM), and image analysis using deep learning (codes are available at https://github.com/hoisunglab/FNet ) to interrogate several steps during the aggregation process of the 42-residue Aβ peptide (Aβ42), including dimerization, formation of stable oligomers, and fibril elongation. (biorxiv.org)
  • Electron spin resonance (ESR) spectroscopy is a crucial tool, through spin labelling, in investigations of the chemical structure of materials and of the electronic structure of materials associated with unpaired spins. (ewha.ac.kr)
  • Hybridization between π electron orbitals of organic molecules and 3d electronic orbitals of magnetic metals has been investigated by means of scanning tunneling microscopy (STM) and STM spectroscopy. (nii.ac.jp)
  • ENERGY-FILTERED TRANSMISSION ELECTRON MICROSCOPY is a type of electron energy loss spectroscopy carried out in electron microscopes specially outfitted to analyze the spectrum of electron energy loss. (bvsalud.org)
  • Electron spectroscopy Theory and technologies. (lu.se)
  • Using both synchrotron-based photoemission electron microscopy/spectroscopy and scanning tunneling microscopy/spectroscopy, we obtain a complete picture of the surface composition, morphology, and electronic structure of InP nanowires. (lu.se)
  • article{20d4e6ab-67de-4b74-b92a-3de2d19a5e4c, abstract = {{Using both synchrotron-based photoemission electron microscopy/spectroscopy and scanning tunneling microscopy/spectroscopy, we obtain a complete picture of the surface composition, morphology, and electronic structure of InP nanowires. (lu.se)
  • Our goal in this work is to extend the outstanding capabilities of the scanning probe microscopy (SPM) technique to controlling mixed-valence states and electron transfer within a single molecule. (nature.com)
  • In scanning tunnelling microscopy, the tunnelling electrons induce particular processes leading to site selective dissociation or desorption (single molecule engineering). (dpg-physik.de)
  • But electron microscopy-a technique to study a static version of this nano world-has been almost impossible to use to see moving molecules, because the incident electron beam damages the samples. (unist.ac.kr)
  • An international team of researchers, affiliated with UNIST, has introduced a longer-lasting electron-based microscopy technique for real-time observation of moving molecules, using heavy water (D₂O)-a form of water that contains deuterium (D). (unist.ac.kr)
  • According to the research team, this study is the first time to use D₂O in the field of transmission electron microscopy (TEM), instead of hydrogen. (unist.ac.kr)
  • In electron microscopy, electrons emitted against the sample have a much shorter wavelength than light, so they are better suited to provide information about single molecules. (unist.ac.kr)
  • Despite significant advances in resolution, the potential for cryo-electron microscopy (EM) to be used in determining the structures of protein-drug complexes remains unrealized. (elsevierpure.com)
  • Emission in the ultraviolet-visible region produced by the electron-impact excitation of polyatomic molecules. (hw.ac.uk)
  • be able to analyse molecular spectra for diatomic and polyatomic molecules. (lu.se)
  • be able to decide the symmetry characteristics of diatomic and some simple polyatomic molecules based on analysis of different spectra for IR and Raman scattering. (lu.se)
  • This enzyme is involved in transferring negatively charged particles called electrons from one molecule to another. (medlineplus.gov)
  • This wave nature of matter could be used to create a tractor beam that could reel in atoms or molecules, a new study proposes. (sciencenews.org)
  • A new kind of tractor beam could use a beam of particles to reel in atoms or molecules, physicists propose in the May 5 Physical Review Letters . (sciencenews.org)
  • make these clusters ideal as model systems to understand how the primary sequence of processes is affected by surrounding atoms or molecules. (lu.se)
  • 4. The mole is just a specific number of atoms or molecules. (lu.se)
  • As an example, it is shown that the 5-electron 3-centre valence bond structure for N2O4 (which is equivalent to resonance between 144 canonical Lewis structures) provides an electronic interpretation for Frankland's 1866 bond diagram with pentavalent nitrogen atoms. (uni-muenchen.de)
  • The possibility of utilizing highly polarized electron spin of the photo-excited triplet state of organic semiconductors (pentacene molecules) embedded in organic crystals and mesoporous materials by zero-field (ZF) and near zero-field (NZF) pulsed electron paramagnetic resonance (EPR) techniques in a quantum computer will be explored. (tmu.edu.tw)
  • The production of reactive, oxygen species can be measured using electron spin resonance (ESR) techniques. (cdc.gov)
  • K. P. Huber and G. Herzberg Constants of Diatomic Molecules (Van Nostrand Reinhold, New York 1979). (epj-conferences.org)
  • be able to calculate different parameters such as temperature and moment of inertia from a spectrum of a diatomic molecule. (lu.se)
  • In addition to work on organic molecules and polymers, some recent work on 'super electron acceptors' derived from buckminsterfullerene materials will also be discussed. (case.edu)
  • Lin, TS, Sloop, DJ & Mou, CY 2005, ' Utilization of polarized electron spin of organic molecules in quantum computing ', International Journal of Quantum Information , 卷 3, 編號 SUPPL. (tmu.edu.tw)
  • When π-conjugated organic molecules are adsorbed on magnetic substrates with 3d density of states peaks near the Fermi energy, strong π-d hybridization is occurred, which enhances the adsorption energy of the molecule more than the thermal diffusion energy. (nii.ac.jp)
  • Thus, even at 300 K we succeeded to observed single π-conjugated organic molecules, such as phthalocyanine. (nii.ac.jp)
  • Note on an Approximation Treatment for Many- Electron Systems Phys. (eu-journal.org)
  • Hohenberg-Kohn theorem including electron spin Phys. (eu-journal.org)
  • An Undulatory Theory of the Mechanics of Atoms and Molecules Phys. (eu-journal.org)
  • An atom consists of one nucleus, made of protons and neutrons, and many smaller particles called electrons. (cdc.gov)
  • In this exhibition ping pong balls , iron balls and golf balls represents the electrons, protons and neutrons. (lu.se)
  • On a 100 square meter area has been built interactive experimental stations where ping pong balls, iron balls and golf balls represent electrons, protons and neutrons. (lu.se)
  • We introduce the association-dissociation model of neutral hydrogen molecule, which is a finite-dimensional cavity quantum electrodynamics model of chemistry with two two-level artificial atoms on quantum dots placed in optical cavities, based on the Tavis-Cummings-Hubbard model. (arxiv.org)
  • In large-scale quantum-chemical calculations, the electron-repulsion integral (ERI) tensor rapidly becomes the bottleneck in terms of memory and disk space. (aip.org)
  • Major advantages of these approaches are: (1) high electron spin polarization, (2) possible single-molecule detection, (3) orchestrated quantum perturbations can be imposed, and (4) pulsed ZF and NZF EPR techniques can be performed without high magnetic field. (tmu.edu.tw)
  • Quantum calculation of the hyperpolarizabilty tensor is carried out for chiral molecules displaying a "one-electron" chirality. (hal.science)
  • This is fundamental and pedagogical work in quantum physics/chemistry, where we try to illustrate the Mulliken question, "what are the electrons really doing in molecules? (eu-journal.org)
  • The possibility of interpreting Coulomb and Fermi holes with space-time of diagrams goes deep into the quantum behaviour of electrons, because the Coulomb forces in atomic systems create interreference patterns and then electrons cannot fill the electrostatic potentials everywhere as in classical mechanics. (eu-journal.org)
  • Photoionization of an atomic electron is followed by electronic relaxation which results in a migration of charge within the atom. (lu.se)
  • Light is used to study the electrons found around the atomic nucleus. (lu.se)
  • A water molecule has 2 lone pair of electrons ,with one pair proton combines and make H30+ ,so is there a chance of H4O+ when another proton combines with H3O+? (topperlearning.com)
  • Each xyz file contains one water molecule. (lu.se)
  • It is now believed that the characteristics of the surface of quartz particles determine their interaction with biological molecules and hence their toxicity. (cdc.gov)
  • Electron cryotomography studies of maturing HIV-1 particles reveal the assembly pathway of the viral core. (bvsalud.org)
  • UNLABELLED To better characterize the assembly of the HIV-1 core, we have used electron cryotomography (ECT) to image infected cells and the viral particles cryopreserved next to them. (bvsalud.org)
  • Here, we have used electron cryotomography to structurally characterize HIV-1 particles that are actively maturing. (bvsalud.org)
  • Here we present our recent progress in measuring how the amount of structural information in electron cryomicrographs of biological specimen scales vs. damage when changing the energy of the incident electron beam. (univie.ac.at)
  • A simple logic gate, such as CNOT, utilizing such highly polarized electron spins communicating with the surrounding paramagnetic nuclei via hyperfine interaction will be discussed. (tmu.edu.tw)
  • To provide a model that can accurately describe the conformational dynamics of the chemically diverse set of small-molecule drugs inside MDFF, we use QM/MM and neural-network potential (NNP)/MM models of protein-ligand complexes, where the ligand is represented using the QM or NNP model, and the protein is represented using established molecular mechanical force fields (e.g. (elsevierpure.com)
  • Intramolecular charge transfer processes play an important role in many biological, chemical and physical processes including photosynthesis, redox chemical reactions and electron transfer in molecular electronics. (nature.com)
  • Electron flow through biological molecules: does hole hopping protect proteins from oxidative damage? (caltech.edu)
  • Biological electron transfers often occur between metal-containing cofactors that are separated by very large molecular distances. (caltech.edu)
  • Electrons, since they interact strongly with biological specimen, induce severe radiation damage, but also provide maximal contrast per unit damage event when compared to X-rays and neutrons. (univie.ac.at)
  • While the amount of information per unit damage for electrons is thought to be approximately constant over the energy range of 10 to 1000 keV, published measurements of radiation damage to biological specimen are not of sufficient accuracy to determine if there is an advantage, in terms of contrast per unit damage, to reducing or increasing the energy of the electron beam. (univie.ac.at)
  • Conjugated molecules and polymers are of intense interest because of their novel electronic, linear and nonlinear optical, electrochemical and biological properties. (case.edu)
  • Several studies of the mass spectra of nitroaromatic compounds have appeared in recent literature with emphasis on either analytical applications or on the modes of electron impact fragmentation. (dtic.mil)
  • The fragmentation of the hydrated and anhydrous asparagine molecule (C 4 H 8 N 2 O 3 ) under a low-energy electron impact was studied both experimentally and theoretically. (epj.org)
  • Here, we propose this as a basis for the construction of a (usually approximate) differential equation for the ground-state electron density. (uantwerpen.be)
  • This result allows the force-balance equation to be written as a third-order linear, differential homogeneous equation for the ground-state electron density rho(r). (uantwerpen.be)
  • In this article, we present a flexible-fitting pipeline where molecular dynamics flexible fitting (MDFF) is used to refine structures of protein-ligand complexes from 3 to 5 Å electron density data. (elsevierpure.com)
  • In spite of the fact that the GNRs were buckled, electron density of states was very uniform, and the crossing area of two GNRs showed p-type semiconductor. (nii.ac.jp)
  • What determines the atom or molecule that receives electrons during oxidation? (stackexchange.com)
  • When a metal like iron is oxidized, each iron atom loses 3 electrons. (stackexchange.com)
  • The jumps up in frequency shown in Fig. 2 correspond to the electron colliding with a residual atom or molecule in the gas cell. (aps.org)
  • The jumps correspond to the loss of energy when the electron collides with an atom or molecule. (aps.org)
  • The example of the two-electron Hookean atom is treated: For this case one can also transcend the first-order RS perturbation theory and get exact results for discrete choices of force constants (external potential). (uantwerpen.be)
  • We demonstrated to control electron spin configurations of single 3d magnetic atoms by using local ligand fields inside the single organic molecule combined with STM atom manipulation. (nii.ac.jp)
  • electrons ejected from the nucleus of a decaying atom . (cdc.gov)
  • The formation of electronically excited neutral molecules is shown to occur by both electric-dipole allowed and electric-dipole forbidden excitation processes. (hw.ac.uk)
  • Consideration is also given to the effects of nuclear and electron spins on the formation of neutral hydrogen molecule. (arxiv.org)
  • State the term - The number of hydrogen ions with which a molecule of that base will react to produce salt and water only. (topperlearning.com)
  • What is the Lewis electron-dot structure for a molecule of hydrogen chloride? (socratic.org)
  • Because Chlorine is more electronegative, the electrons about the chemical species will be closer to it than hydrogen. (socratic.org)
  • Atoms tend to combine with other atoms to form molecules (for example, hydrogen and oxygen combine to form water). (cdc.gov)
  • With the goal to produce molecules with high electron accepting capacity and low reorganization energy upon gaining one or more electrons, a synthesis procedure leading to the formation of a B-N(aromatic) bond in a cluster has been developed. (jyu.fi)
  • Free electrons, tunnelling electrons, or photoelectrons at surfaces or in the condensed phase that frequently have energies below the ionisation threshold of the material with which they interact, play a key role in each of these processes. (dpg-physik.de)
  • Seinfeld did to the online electron collisions with molecules clusters and surfaces the place down to have axons about the revival before it was. (subflux.com)
  • First principles investigations of molecule-surface interactions, catalysts on solid surfaces, as well as multiscale simulations of heterogeneous catalysis involving mixed metal oxide surfaces. (lu.se)
  • However, opposite to, for example, Ge nanowires, water or sulfur molecules adsorbed on the exterior oxidized surfaces are of less relevance. (lu.se)
  • 3) Gutowsky discovered spin-spin coupling in molecular liquids and understood its implications for the study of molecular structure (4) Gutowsky used NMR to study mechanisms of chemical exchange and conformational change of molecules. (wikipedia.org)
  • E. D. Commins and D. P. DeMille, "The Electric Dipole Moment of the Electron. (epj-conferences.org)
  • be able to describe how a molecule interacts with electromagnetic radiation via electric dipole transitions and Raman scattering processes. (lu.se)
  • Femto-second pump and probe laser experiments enable the time-resolved study of the dynamics of electrons. (dpg-physik.de)
  • Horinek, D. & Michl, J. Surface-mounted altitudinal molecular rotors in alternating electric field: single-molecule parametric oscillator molecular dynamics. (nature.com)
  • The latter is expected to result from performing the restrained molecular dynamics simulation without water molecules and without proper charges on the flavin. (rcsb.org)
  • The structural characteristics of these molecules imply a low reorganization energy that is a necessary requirement for low energy ET processes. (jyu.fi)
  • The dynamic character of the environment influencing the electron transfer processes highlights phenomena such as pathway interference, conformational transfer gating, or the already mentioned transient resonances 20 in which the traditional picture of a static molecular structure must be replaced by a more dynamic one. (nature.com)
  • The main objective of this seminar is to establish links between the different research communities being concerned with electron-initiated processes. (dpg-physik.de)
  • Experts with technology-related background, from fundamental fields of physics and chemistry, as well as from radiation science will discuss current problems and challenges of their research and thus provide young researchers with a timely and interdisciplinary perspective of the field concerning processes driven by low-energy electron-molecule interactions. (dpg-physik.de)
  • Fundamental studies of photoelectrochemical processes in complex materials, including photophysics and photochemistry of light-harvesting and light-emitting molecules, as well as energy and electron transfer processes in supramolecular systems and molecular-semiconductor hybrid nanomaterials. (lu.se)
  • Electron spin transition and spin-spin interaction between electron and nucleus are both considered. (arxiv.org)
  • The electrons normally circle the nucleus much like the planets or comets circle the sun. (cdc.gov)
  • Experiments using monochromatic electron beams, for instance, induce specific reactions as a function of electron energy. (dpg-physik.de)
  • A substance is bombarded with monochromatic ELECTRONS. (bvsalud.org)
  • Evidence is provided for the possibility of a partial separation of a double-stranded molecule into single strands on adsorption to the supporting film. (rupress.org)
  • Here is the electron-impact ionization cross section for Oxygen molecule (O 2 ) from 5 eV to 2000 eV. (nist.gov)
  • Electrons are emitted by the krypton nuclei when they undergo beta decay. (aps.org)
  • The cell contains a small amount of gaseous krypton-83, a radioactive isotope that produces electrons as its nuclei undergo beta decay. (aps.org)
  • This phenomenon, called the break down of the "Born-Oppenheimer" approximation, is surprisingly common for large molecules and its investigation is one of the great challenges of this century. (lu.se)
  • By way of example we present the simple case of two-electron systems with different external potentials bur with weak electron-electron Coulomb repulsion lambda e(2)/r(12). (uantwerpen.be)
  • Electron-initiated chemical reactions play an important role in many areas of pure and applied science. (dpg-physik.de)
  • This isoform is necessary for many chemical reactions, including the breakdown and formation of fatty acids, the formation of cholesterol, and the breakdown of various molecules and drugs. (medlineplus.gov)
  • Radioactive atoms that become part of a molecule do not affect the way the molecule behaves in chemical reactions or inside your body. (cdc.gov)
  • Recently, our measurements of specimen charging and the demonstration of Ewald sphere correction indicate that neither of these present a barrier for reducing the energy of the electron beam from 300 keV, which is the current standard for most commercial highresolution electron cryomicroscopes. (univie.ac.at)
  • First of all, they had to treat the polymer with an electron beam so that it could bond the molecules to be attached. (sciencedaily.com)
  • This involves transmitting the electron beam through a metal mask or grid to create two distinct areas: In the places where the beam passes through the grid, the original coating can later be changed to create hydrophilic channels. (sciencedaily.com)
  • In the area changed by the electron beam, the original polymer coating reacts chemically with particular molecules that make it become hydrophilic, thereby creating preferential pathways for the liquid water to be removed efficiently. (sciencedaily.com)
  • The process developed at PSI for attaching functional molecules with the help of an electron beam is described by the researchers as "radiation grafting. (sciencedaily.com)
  • These molecules are able to accept up to five electrons and to donate one in single electron steps at accessible potentials and in a reversible way. (jyu.fi)
  • The physical chemist Hans Jakob Wörner from ETH Zurich will receive this year's Klung Wilhelmy Science Award for his pioneering work in studying electron motion in molecules on the attosecond time scale. (fu-berlin.de)
  • However, despite decades of research, little is known about the complex interplay between the spin and charge of electrons within superconducting materials such as cuprates, or materials containing copper. (mit.edu)
  • The extreme complexity in understanding the series of sequential events lies in the interplay between electrons and ions especially when the times scales are similar. (lu.se)
  • We report observation of single electron transfer between two ferrocene redox centers within a single molecule and the detection of energy dissipation associated with the single electron transfer. (nature.com)
  • The fundamental reactions can nowadays be studied on a molecular scale and can directly be followed (and eventually controlled) with high resolution in electron energy, spatial coordinate, and time. (dpg-physik.de)
  • All these fields of pure and applied research strongly benefit from the advancement of knowledge obtained from fundamental studies on low-energy electron-molecule interactions. (dpg-physik.de)
  • Christopher J. Russo (Cambridge): What is the best energy for imaging molecules with electrons? (univie.ac.at)
  • Radiation damage sets the ultimate limit to structure determination using any form of ionising radiation with sufficient energy to resolve the positions of atoms in a molecule. (univie.ac.at)
  • With this in mind, we wish to understand both theoretically and experimentally, if there is a potential advantage in changing the energy of the electron from the conventional 300 keV used for most cryoEM. (univie.ac.at)
  • The materials, in which electron pairs travel without friction - meaning no energy is lost as they move - could dramatically improve the energy efficiency of electrical systems. (mit.edu)
  • The straight streaks correspond to the electron losing energy (and orbiting faster) as it radiates. (aps.org)
  • The idea behind Project 8 is to measure the energies of the electrons emitted in beta decay and compare them to the total energy of the decay. (aps.org)
  • Some of the electrons passing through the specimen will lose energy when they ionize inner shell electrons of the atoms in the specimen. (bvsalud.org)
  • Our measurements allow us to draw a complete energy diagram depicting both band gap and differences in electron affinity across an axial nanowire p-n junction. (lu.se)
  • The tertiary structure of the non-crystallizable two-electron-reduced Megasphaera elsdenii flavodoxin (15 kDa, 137 amino acid residues) has been determined using nuclear Overhauser enhancement restraints extracted from two-dimensional 1H-NMR spectra. (rcsb.org)
  • The microwaves emitted by electrons in cyclotron orbit are channeled up a waveguide to the detection system. (aps.org)
  • The radiated power from a single electron orbiting in a magnetic field, plotted as a function of time and the frequency of the electron's orbit. (aps.org)
  • 2 Institute of Electron Physics, Ukr. (epj.org)
  • On an ensemble level, the role of dissipation in single-electron transfer is well understood. (nature.com)
  • Employing photosensitizer-modified iron and copper proteins, we have shown that single-step electron tunneling can occur on nanosecond to microsecond timescales at distances between 15 and 20 Å. (caltech.edu)
  • Single DNA molecules can be rendered visible in the electron microscope by "staining" with water-soluble salts of heavy metals. (rupress.org)
  • Here we report that a butyl methyl sulphide molecule adsorbed on a copper surface can be operated as a single-molecule electric motor. (nature.com)
  • Figure 1: Single-molecule rotors. (nature.com)
  • The stochastic nature of single-molecule charge transport measurements requires collection of large data sets to capture the full complexity of a molecular system. (imperial.ac.uk)
  • Here we present such an approach based on multivariate pattern analysis and apply it to simulated and experimental single-molecule charge transport data. (imperial.ac.uk)
  • Radiation emitted by these sources comes from the motion of many electrons, but Project 8 is the first experiment to detect cyclotron radiation from a single electron. (aps.org)
  • The bright, upward-angled streaks of radiation indicate the radiation emitted by a single electron. (aps.org)
  • The detected radiation streaks have the same predicted linear dependence, which is what allowed the researchers to associate them with a single electron. (aps.org)
  • We developed and used new single-molecule fluorescence spectroscopic and fluorescence lifetime imaging methods, combined with deep learning for image analysis. (biorxiv.org)
  • In our previous work using single-molecule FRET and MD simulation, we have shown that the monomer of Aβ42 is almost completely disordered with no structured regions that could possibly be a template for fibril formation 11 . (biorxiv.org)
  • The electron-impact induced optical emissions of a series of amino-compounds have been studied using single electron-molecule collision conditions. (hw.ac.uk)
  • As the interaction free energies between the redox centres scale linearly with overall ring charge and in conjunction with fast intramolecular electron transfer (∼107 s−1), these molecules can be considered as uniformly charged nanorings (diameter ∼1-2 nm). (imperial.ac.uk)
  • This is not a research article initially looking for new numerical results, but for the imperative fundamental reinterpretation of the (non-classical and stabilizing) electronic exchange and correlation energies, from the point of view of space-time scattering events between electrons. (eu-journal.org)
  • Electron impact studies of explosives and related substances were initiated in this laboratory in order to provide a comparison with other modes of decomposition such as by heat, light and ionizing radiation. (dtic.mil)
  • scientists from six institutions in the U.S. and Germany and it detects the frequency of radiation emitted by an individual, orbiting electron [1] . (aps.org)
  • It is well known theoretically that a circling electron continuously emits radiation. (aps.org)