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Search results for: ELECTRON%20AFFINITY
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublicationThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublicationAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Electron impact ionization and cationic fragmentation of the pyridazine molecules
PublicationElectron impact mass spectroscopy was used to investigate ionization and cationic fragmentation of the pyridazine (1,2 diazine), C4H4N2, molecules in the gas phase. The mass spectra were measured and the observed mass peaks assigned to the corresponding cations. The appearance energies of most of the cationic fragments were determined and the possible fragmentation processes are discussed. The total cross section for electron...
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Electron diffision coefficients in triatomic gases measurements and model
PublicationPraca zawiera porównanie współczynników dyfuzji elektronów w gazach trójatomowych (N2O, C2O) zmierzonych w doświadczeniu ze współczynnikami wyznaczonymi numerycznie z wykorzystaniem równania Boltzmanna oraz z zastosowaniem metody Monte Carlo. Przedstawiona procedura pozwala zweryfikować przekroje czynne na zderzenia elektronów z drobinami gazów.
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Electron collisions with tetrafluoroethylene (C2F4) and ethylene (C2H4) molecules.
PublicationStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne(TCS) na zderzenie elektronów z drobinami C2F4 w zakresie energii 0.6-370eV.Stwierdzono obecność szerokiego maksimum przy ok. 30eV. Dla porównania zmierzono TCS dla C2H4. Przedyskutowano wpływ podstawienia atomu fluoru w miejsce wodoru.
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Young Electric Summit
EventsYoung Electric Summit jest odpowiedzią na rosnące zainteresowanie rozwojem branży energetycznej w Polsce. Wydarzenie organizowane z okazji 20-lecia działalności Studenckiego Koła Stowarzyszenia Elektryków Polskich PG.
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Synthesis of Fentanyl Triazole Derivatives and their Affinity for Mu-Opioid and Sigma-1 Receptors
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Structural factors affecting affinity of cytotoxic oxathiole-fused chalcones toward tubulin
PublicationSynthesis, in vitro cytotoxic activity, and interaction with tubulin of (E)-1-(6-alkoxybenzo[d][1,3]oxathiol- 5-yl)-3-phenylprop-2-en-1-one derivatives (2) are described. Some of the compounds demonstrated cytotoxic activity at submicromolar concentrations, and the activity could be related to interaction with tubulin at the colchicine binding site. Interaction of selected derivatives with tubulinwas evaluated using molecular modeling,...
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Scattering of electrons from acetaldehyde and acetone
PublicationZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach acetaldehydu (CH3)CHO oraz acetonu (CH3)2CHO w zakresie energii zderzenia 0.7 - 400 eV. Charakter otrzymanych zależności energetycznych TCS jest typowy dla drobin o wysokim momencie dipolowym. Wyniki porównano z przekrojami czynnymi dla izomerów cyklicznych odpowiadających obu drobinom.
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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Effects of independent magnetic fields in the very low frequency range elf generated by selected elements of an electric traction unit on the ambient environment and electronic systems
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Battery Technologies in Electric Vehicles: Improvements in Electric Battery Packs
PublicationRestrictions on fossil fuels and related environmental pollution issues motivate many organizations and countries to set their focus on electric vehicles (EVs) rather than conventional internal combustion engine vehicles [1], [2]. EVs require an energy storage system to store converted electric power in another form of energy and then reconvert the stored energy to electric power whenever it is required. The energy stored can be...
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Generalized Zero Range Potentials and Multichannel Electron Molecule Scattering.
PublicationZagadnienie o rozpraszaniu elektronów na molekułach rozwiązuje się w sposób jawny w modelu potencjałów o zerowym promieniu. Uwzględniając stany wzbudzone wprowadzamy potencjał macierzowy. Dla przykładu stanów wibracyjnych e+H_2 porównujemy wyniki obliczeń przekrojów czynnych z innymi (ab initio) oraz z doświadczeniem.
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The high-energy critical minimum in elastic electron scattering by argon.
PublicationZostało zbadane położenie wysokoenergetycznego minimum krytycznego w rozpraszaniu elektronów na argonie. W celu przeprowadzenia dyskusji zachowania się czynnego przekroju różniczkowego w okolicy minimum krytycznego przeprowadzono analizę położenia minimum zarówno dla energii, jak i kątów.
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Semiempirical analysis of electron scattering cross sections in N2O and CO2.
PublicationPorównano współczynniki transportu wyznaczone doświadczalnie w eksperymentach rojowych z wyznaczonymi teoretycznie z rozwiązania równania Boltzmana dla N2O i CO2. Badano wpływ przekrojów czynnych na wzbudzenia wibracyjne w tych gazach, w zakresie niskich energii na zgodność tych współczynników transportu.
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Comparison of PM10 concentration in Gdansk and London using electron microscopy
PublicationParticulate matter (PM) has been considered as one of the most dangerous elements of air pollution. Multiply analytical methods are employed to identify the composition of particles present in the air. The theoretical part of this work is a description of different research centres all over the world where particulate matter is being analyzed using various techniques. The purpose of this project is to analyze and compare particles...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Electron-impact ionization cross section calculations for selected ribonucleosides
PublicationTotal cross sections for the single electron-impact ionization of selected ribonuclosides (guanosine, adenosine, cytidine and uridine) have been calculated for electron energies ranging from the ionization threshold up to 5 keV.
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Low energy elastic electron scattering from benzonitrile (C6H5CN)
PublicationWe present experimental differential elastic scattering cross sections (DCSs) for low energy electron scattering from benzonitrile along with integral and momentum-transfer cross sections that are determined from these DCSs. The measurements of DCSs are obtained using the relative flow method with helium as the standard gas, in a crossed electron-molecular gas beam arrangement. Our measurements are made at incident electron energies...
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Low energy differential elastic electron scattering from trichloromethane
PublicationExperimental differential cross sections for low energy electron scattering from trichloromethane is measured utilizing a crossed electron-molecular beam experiment via the relative flow method, for the incident electron energies in the range of E = 0.5 eV-30 eV and the scattering angles in the range of θ = 10◦ − 130◦ .
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Correlation and Entanglement in Elliptically Deformed Two-Electron Quantum Dots
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Pressure dependence of electron-phonon coupling inCe3+-dopedGd3Sc2Al3O12garnet crystals
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Vibrational excitation of tetrahydrofuran by electron impact in the low energy range
PublicationWzbudzenie oscylacyjne cząsteczki tetrahydrofuranu w zderzeniach z elektronami przeprowadzone było w zakresie energii 5-14 eV w szerokim kącie rozproszenia (20°-180°). Pomiary funkcji wzbudzenia oscylacyjnego modów rozciągających w grupie CH2 (wiązania C-H) wykazują obecność struktur dla energii 6.0, 7.9 i 10.3 eV, którym można przypisać formowanie się stanów rezonansowych jonów ujemnych cząsteczki. W pracy wyznaczono także różniczkowy...
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ThDione: A Powerful Electron‐Withdrawing Moiety for Push–Pull Molecules
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Absolute total cross-section measurements for electron collision with tetrahydrofuran
PublicationZmierzono absolutny, całkowity przekrój czynny na rozpraszanie elektronów na drobinach tetrahydrofuranu (C4H8O) w zakresie energii zderzenia 1-370 eV. Otrzymane wyniki pozostają w dobrej zgodności z sumą obliczonych przekrojów elestycznych i jonizacyjnych. Przeprowadzono porównananie z innymi dostępnymi przekrojami czynnymi.
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Electron scattering by trimethylene oxide, c-(CH2)3O, molecules
PublicationZmierzono całkowity przekrój czynny na rozproszenie elektronów na drobinach c-(CH2)3O w zakresie energii 1 - 400 eV. Wyniki porównano z elastycznymi i jonizacyjnymi przekrojami czynnymi obliczonymi dla tej drobiny. Przedyskutowano energetyczną zależność całkowitego przekroju czynnego na rozproszenie dla rodziny eterów cyklicznych (CH2)nO, n=2-4.
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Reversible electron charge transfer in single-wall carbon nanotubes
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Quasidegeneracy of Zwitterionic and Canonical Tautomers of Arginine Solvated by an Excess Electron
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Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide
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An excess electron bound to urea. I. Canonical and zwitterionic tautomers
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Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
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An excess electron bound to urea oligomers. II. Chains and ribbons
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Backbone and Side-Chain Cleavages in Electron Detachment Dissociation (EDD)
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A first-principles study of electron attachment to the fully hydrated bromonucleobases
PublicationDegradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical....
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublicationElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Low energy electron attachment to platinum(II) bromide (PtBr2)
PublicationtDissociative electron attachment to PtBr2in the gas phase was studied in the low electron energy rangefrom zero up to 10 eV with an energy resolution of 150 meV. The experiments were carried out using ahemispherical electron monochromator coupled with a quadrupole mass spectrometer and pulse count-ing acquisition system. The only anion observed was Br−. This ion is formed at three resonance electronenergies: 0.4 eV, 1.2 eV and...
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Cross sections for electron collision with five-membered ring heterocycles
PublicationCałkowity absolutny przekrój czynny (TCS) na rozpraszanie elektronów na cząsteczce izoksazolu (CH)3NO, został zmierzony przy wykorzystaniu liniowej techniki transmisyjnej dla energii zderzenia od 1 do 400 eV. Zależność energetyczna funkcji TCS jest typowa dla cząsteczek silnie polarnych; w całym zakresie badanych energii wartość TCS maleje wraz ze wzrostem energii zderzenia. Zaobserwowano wąskie struktury rezonansowe w okolicy...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublicationWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Total cross sections for electron scattering with some C3 hydrocarbons
PublicationPrzedstawiono absolutne całkowite przekroje czynne na rozpraszanie elektronów dla dwóch izomerów C3H4 oraz C3H8 w zakresie energii 0.5-37- eV. Przedyskutowano efekt izomeryczny oraz wpływ krotności wiązania C-C.
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Electron scattering on N2O - from cross section to diffusion coefficients.
PublicationW pracy przedstawiono wyniki pomiarów współczynników transportu: stosunek współczynnika dyfuzji w kierunku prostopadłym do pola elektrycznego do ruchliwości, stosunek współczynnika dyfuzji podłużnej do ruchliwości oraz prędkość dryfu elektronów w funkcji zredukowanego pola elektrycznego. Współczynniki zmierzono metodą Townsenda-Huxley´a a prędkość dryfu otrzymano wykorzystując metodę Bradbury - Nielsena. Zmierzone współczynniki...
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Fluorescence emission of carbon disulfide in low energy electron collision.
PublicationZbadano widma emisyjne dwusiarczku węgla w zakresie widmowym od 235 nm do575 nm wzbudzane zderzeniami elektronów o energii 9.7eV I 15eV. W otrzymanych widmach największe natężenie miały pasma pochodzące z dysocjacji cząsteczek dwusiarczku węgla.
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Reactions in nanofilms of trifluoroacetic acid (CF3COOH) driven by low energy electrons
PublicationBadano modyfikacje chemiczne indukowane przez niskoenergetyczne elektrony (0-20eV) w cienkich warstwach skondensowanych molekuł CF3COOH. Do badań zastosowano dwie metody: desorpcję jonów w wyniku bombardowania elektronami (ESD - Electron Stimulated Desorption) oraz termiczną desorpcję jonów (TDS - Thermal Desorption Spectroscopy).
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Supramolecular junctions of the PDA tetramers
Open Research DataIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublicationThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...