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Calculations of Cross-Sections for Positron Scattering on Benzene
PublicationIn this work, we present a theoretical study on positron scattering by benzene molecules over a broad energy range (1–1000 eV). The aim of this work is to provide missing data from partial cross-sections for specific processes. In particular, calculations of cross-sections for direct ionization and electronic excitation were carried out for benzene molecules in the gas phase. An estimate for the cross-section for positronium formation...
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Measurements of differential cross sections in the backscattering region
PublicationW pracy przedstawiono przegląd technik eksperymentalnych umożliwiających detekcję elektronów rozproszonych w przedziale dużych kątów rozproszenia, ze szczególnym uwzględnieniem techniki lokalnego pola magnetycznego. Przedstawione zostały wyniki pomiarów i obliczeń teoretycznych różniczkowych przekrojów czynnych dla dużych kątów rozproszenia elektronów na atomach gazów szlachetnych i małych molekuł.
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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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On the generalized model of shell structures with functional cross-sections
PublicationIn the present study, a single general formulation has been presented for the analysis of various shell-shaped structures. The proposed model is comprehensive and a variety of theories can be used based on it. The cross-section of the shell structure can be arbitrarily analyzed with the presented equations. In other words, various types of shell structures, including cylindrical, conical, spherical, elliptical, hyperbolic, parabolic,...
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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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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance
PublicationWe investigate the methanol absorption spectrum in the range 5.5–10.8 eV to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol electronic-state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the-art quantum chemical calculation methods. The VUV spectrum reveals several new features...
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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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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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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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CROSS SECTIONS CALCULATIONS FOR ELECTRON SCATTERING FROM RHODANINE AND CYANOACETIC ACID
PublicationCross sections for electron-impact ionization and for elastic electron scattering for rhodanine (C3H3NOS2) and cyanoacetic acid (C3H3NO2) have been calculated in wide impinging electron energy range.
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublicationCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublicationWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
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Cross sections for ionization and ionic fragmentation of pyrimidine molecules by electron collisions
PublicationThe electron impact mass spectroscopy and the total ion collection measurements were used to investigate the ionization and ionic fragmentation of the pyrimidine, C4H4N2, molecules in the gasphase. The cation mass spectra were measured in the 10−85 amu range and the observed mass peaks assigned to corresponding ionic fragments. The most abundant cation in the mass spectra is the parent cation, C4H4N+2, at 80 amu. The appearance...
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Cross sections for electron scattering from furan molecules; measurements and calculations
PublicationZmierzono i policzono przekroje czynne (TCS) na rozproszenie elektronów na drobinach furanu (C4H4O). Całkowite przekroje czynne zmierzono metodą transmisyjną w zakresie energii 0.6 - 400 eV. Sprężysty i jonizacyjny przekrój czyny obliczono dla energii zderzenia do 4 keV; powyżej 70 eV suma obu przekrojów pozostaje w dobrej zgodności z mierzonymi wartościami TCS.
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Ttotal dissociative electron attachment cross sections of selected amin acids
PublicationZaprezentowano całkowite przekroje czynne na dysocjacyjny wychwyt elektronów przez aminokwasy: glicynę, alaninę, prolinę, tryptofan oraz fenyloalaninę. Wartości przekrojów czynnych wyznaczono z pomiarów wydajności w produkcji jonów dodatnich oraz normalizację do całkowitych przekrojów czynnych na jonizację, obliczonych metodą BEB.
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Electron-scattering total cross sections for triatomic molecules: NO2 and H2O
PublicationZmierzono całkowite przekroje czynne na rozpraszanie elektronów na drobinach NO2 i H2O, odpowiednio w zakresie energii od 3 do 370 eV oraz 0,5 do 370 eV. Dla średniej energii zderzenia obliczono ponadto przekroje na rozproszenie sprężyste i jonizację.
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Cross sections for electron scattering from selected components of DNA and RNA
PublicationWykorzystując metodę atomów niezależnych obliczono różniczkowe i całkowite przekroje czynne na sprężyste rozproszenie elektronów na wybranych drobinach, będących analogami składników DNA i RNA. Przekroje te obliczono w zakresie energii zderzenia od 50eV do 200 eV dla następujących drobin: C4H8O, C4H8O2, C5H10O2 oraz H3PO4. Przy użyciu metody BEB (binary-ecounter Bethe method) dla powyższych związków obliczono również przekroje...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublicationThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Measurements of absolute elastic and vibrational cross sections for electron scattering from tetrahydrofuran
PublicationPrzedstawiono wstępne wyniki pomiaru absolutnych przekrojów czynnych na zderzenie elektronów z drobinami tetrahydrofuranu przy energii 10eV.
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Load carrying capacity of the eccentric joint in the truss made of open cross-sections
PublicationThe influence of eccentricity at intersections of truss members on the load carrying capacity of the truss joint is presented in the paper. The research truss elements were designed as cold-formed open cross section. Analytical calculations, numerical analysis and experimental research were conducted to reveal how the eccentricity affects the effort of material in the joint area. The results of analysis and investigations are compared...
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Electron-scattering total cross sections for complex molecules: group additivity rule
PublicationZaprezentowano całkowite przekroje czynne na rozpraszanie elektronów na dwóch rodzinach drobin: pierwszej - zawierającej azot jako atom centralny [N(CH3)3, NH2CH3, NH3]oraz drugiej - rodzinę eterów cyklicznych [c-(CH2)nO, gdzie n=2-5]. Zostało pokazane, że TCS dla niektórych drobin wieloatomowych można wyznaczyć na podstawie wyników TCS dla drobin o prostszej budowie lub ich fragmentów.
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Cross sections for electron scattering from sulfuryl chloride fluoride (SO2ClF) molecules
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne oraz obliczone sprężyste i jonizacyjne przekroje czynne na rozpraszanie elektronów na drobinach SO2ClF dla niskich i średnich energii zderzenia. Wyniki porównano z dostępnymi przekrojami czynnymi dla drobin zawierających siarkę jako atom centralny.
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TOTAL CROSS SECTIONS FOR ELECTRON SCATTERING FROM SELECTED HYDROCARBONS: THE SUBSTITUTIONAL AND ADDITIVITY EFFECTS
PublicationTotal cross sections (TCS) for electron scattering from selected alkyne molecules, ethylene and its derivatives are compared. All cross sections have been measured in a wide energy range, from about 1 eV up to 370 eV, with the same electrostatic electron spectrometer. The substitutional and additivity effects are indicated and discussed.
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublicationCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Cross sections calculations for electron scattering from dimethylamine, NH(CH3)2, molecule
PublicationThe total cross section for single electron-impact ionization and the integral elastic cross section for electron scattering from dimethylamine have been calculated using the binary-encounter-Bethe model and the independent atom method, respectively.
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Measurements of differential cross sections for elastic electron scattering in the backward direction by molecular oxygen.
PublicationZmierzono różniczkowe przekroje czynne na rozproszenie sprężyste elektronów na cząsteczkach tlenu w zakresie kątów rozproszenia 100-180 st., dla wybranych energii padających elektronów w przedziale 7-20eV. Do pomiarów wykorzystano metodę lokalnego pola magnetycznego.
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TIME-OF-FLIGHT DIFFERENTIAL ELECTRON SCATTERING FROM MOLECULAR TARGETS: BENCHMARK CROSS SECTIONS
PublicationWe report time-of-flight differential cross section (DCS) measurements for the electron impact excitation transition in H2. In this work, agreement between available theory and experiment is excellent overall, and marks a transition in electron molecule scattering where differential scattering of excitation is found to be in such precise agreement. We also prove that the newly built apparatus can be used for accurate measurement...
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A semiempirical model for low energy electron–atom transport cross sections: The case of noble gases
PublicationA semiempirical approach to describe low energy electron–atom transport cross sections of easy implementation and reproduction is presented. The heart of the model is an energy independent two-parameter potential that was adjusted to reproduce the accurate total cross sections for He, Ne, Ar and Kr, measured with a threshold photoelectron source technique from meV up to 20 eV. Once the potential was conceived, the model was validated...
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Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
PublicationThe interactions of electrons with molecular systems under various conditions are essential to interdisciplinary research fields extending over the fundamental and applied sciences. In particular, investigating electron-induced ionization and dissociation of molecules may shed light on the radiation damage to living cells, the physicochemical processes in interstellar environments, and reaction mechanisms occurring in combustion...
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Analysis of free vibrations of cantilever bars with parabolically variable cross-sections using the Rayleigh’s method
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Differential cross sections for elastic electron scattering in xenon in the energy range from 5ev to 10ev
PublicationRóżniczkowe przekroje czynne na rozproszenie sprężyste elektronów na atomach ksenonu zmierzone zostały dla energii 5, 7.9 i 10eV w zakresie kątów rozproszenia 30°-180°. W pomiarach wykorzystano technikę lokalnego pola magnetycznego. Wyznaczono także całkowity przekrój czynny na rozproszenie sprężyste oraz przekrój czynny na przekazanie pędu poprzez scałkowanie zmierzonych różniczkowych przekrojów czynnych dla wybranych energii....
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Measurements of absolute total cross sections for electron scattering fromtriatomic polar molecules: SO2 and H2S.
PublicationZmierzono całkowity przekrój czynny na rozproszenie elektronów na SO2 i H2S.Pomiary przeprowadzono na zmodyfikowanym spektrometrze elektronów pracującym w oparciu o metodę transmisyjną.
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An Analysis of Periodic Arrangements of Cylindrical Objects of Arbitrary Convex Cross Sections with the Use of Field Matching Method
PublicationA problem of electromagnetic wave scattering from multilayered frequency selective surfaces is presented. Each surface is composed of periodically arranged cylindrical posts of arbitrary convex cross-section. The method of analysis is based on the direct field matching technique for a single cell, and the transmission matrix method with the lattice sums technique for periodic arrangement of scatterers.
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Differential cross sections for electron impact vibrational excitation of molecular oxygen in the angular range 15° - 180°.
PublicationZmierzono absolutne różniczkowe przekroje czynne na wzbudzenie drobin tlenu do poziomów oscylacyjnych v=1-4 stanu podstawowego X3 suma g. Pomiary wykonano dla energii elektronów równej 10eV w zakresie kątów rozproszenia od 15° do 180°.
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Differential cross sections for elastic electron scattering in argon over the angular range 130-180 st.
PublicationPomiary różniczkowych przekrojów czynnych na rozpraszanie sprężyste na atomach argonu w zakresie kątów 130-180 st. dla elektronów o energiach 5, 7.5 i 10 eV. W pomiarach wykorzystano technikę lokalnego pola magnetycznego.
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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Differential cross sections for low-energy elastic electron scattering from tetrahydrofuran in the angular range 20°-180°
PublicationWartości absolutne różniczkowych przekrojów czynnych na rozproszenie sprężyste elektronów o energii 6-20eV na cząsteczce tetrahydrofuranu w zakresie kątów 20°-180°. W pomiarach wykorzystano technikę lokalnego pola magnetycznego. Wyznaczono także całkowity przekrój czynny na rozproszenie sprężyste oraz przekrój czynny na przekazanie pędu poprzez scałkowanie zmierzonych różniczkowych przekrojów czynnych dla wybranych energii.
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An Analysis of Cylindrical Posts of Arbitrary Convex Cross Sections Located in Waveguide Junctions with the Use of Field Matching Method
PublicationA problem of electromagnetic wave scattering from cylindrical posts of arbitrary cross section located in waveguide junction is presented. The method of analysis is based on the direct field matching technique. Multimode scattering matrices of every section of waveguide junction are calculated and cascading procedure is utilized to investigate the whole structure. The results are verified by comparing them with those obtained from...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Manufacturing Elements with Small Cross-Sections of 17-4 PH Steel (1.4542) with the Application of the DMLS Additive Manufacturing Method
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Cross-sections for electron-scattering from 2-methyl-1-buten-3-yne, C 5 H 6 , molecules
PublicationtCross-sections for electron collisions with the 2-methyl-1-buten-3-yne [H2C C(CH3)C CH] moleculewere measured and calculated. Absolute grand-total electron-scattering cross-section (TCS) was takenat impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The TCS energydependence for the electron–C5H6collision has two prominent enhancements separated with a deepminimum located near 1.8 eV. In addition,...
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Higher order polarizabilities and the positron forward scattering problem: Convergence between calculated and measured cross sections in the very low energy regime
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Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects
PublicationA detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...
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Differential cross sections for electron elastic scattering and vibrational v=1 excitation in nitrogen in the energy range [online] from 5 to 20 eV measured over an angular range 10deg-180deg
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Elastic electron scattering and vibrational excitation of isoxazole molecules in the energy range from 2 to 20 eV
PublicationDifferential cross sections for elastic electron scattering and the excitation of the C-H vibrational modes of isoxazole molecules were measured in the energy range from 2 to 20 eV and over the scattering angle range from 10◦ to 180◦. The cross sections at the scattering angles of and above 90◦ were accessible with the use of a magnetic angle changer. The differential cross sections were integrated to yield integral and momentum...
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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.