Search results for "reactions"

Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals

2014

Abstract Both density functional theory calculations and numerous experimental studies demonstrate a variety of unique features in metal supported oxide films and transition metal doped simple oxides, which are markedly different from their unmodified counterparts. This review highlights, from the computational perspective, recent literature on the properties of the above mentioned surfaces and how they adsorb and activate different species, support metal aggregates, and even catalyse reactions. The adsorption of Au atoms and clusters on metal-supported MgO films are reviewed together with the cluster׳s theoretically predicted ability to activate and dissociate O 2 at the Au–MgO(100)/Ag(100…

Neutrino-nuclear responses for astro-neutrinos, single beta decays and double beta decays

2019

Neutrino–nuclear responses associated with astro-neutrinos, single beta decays and double beta decays are crucial in studies of neutrino properties of interest for astro-particle physics. The present report reviews briefly recent studies of the neutrino–nuclear responses from both experimental and theoretical points of view in order to obtain a consistent understanding of the many facets of the neutrino–nuclear responses. Subjects discussed in this review include (i) experimental studies of neutrino–nuclear responses by means of single beta decays, charge-exchange nuclear reactions, muon- photon- and neutrino–nuclear reactions, and nucleon-transfer reactions, (ii) implications of and discus…

Value of the Axial-Vector Coupling Strength in β and ββ Decays : A Review

2017

Clusterization and Strong Coulpled-Channels Effects in Deuteron Interaction with 9Be Nuclei

2019

Angular distributions of protons, deuterons, tritons and alphaparticles emitted in the d + 9Be reaction at Elab=19.5 and 35.0 MeV have been measured. The elastic scattering channel is analysed in the framework of both the Optical Model and the Coupled-Channel approach. The interaction potential of the d + 9Be system is calculated in the framework of the Double-Folding model using the α + α + n three-body wave function of the 9Be nucleus. The (d, p) and (d, t) one-nucleon-transfer reactions are analysed within the coupledreaction-channel approach. The spectroscopic amplitudes for the different nuclear cluster configurations are calculated. Differential cross sections for the reaction channel…

Syntheses of Trifluoroethylated N-Heterocycles from Vinyl Azides and Togni’s Reagent Involving 1,n-Hydrogen-Atom Transfer Reactions

2020

2,2,2-Trifluoroethyl-substituted 3-oxazolines, 3-thiazolines, and 5,6-dihydro-2H-1,3-oxazines have been obtained by reacting substituted vinyl azides with a combination of Togni’s reagent and substoichiometric amounts of iron(II) chloride. The results of density functional theory calculations support the proposed mechanism involving 1,n-hydrogen-atom transfer reactions. peerReviewed

β and γ bands in N = 88, 90, and 92 isotones investigated with a five-dimensional collective Hamiltonian based on covariant density functional theory…

2019

A comprehensive systematic study is made for the collective β and γ bands in even-even isotopes with neutron numbers N=88 to 92 and proton numbers Z=62(Sm) to 70 (Yb). Data, including excitation energies, B(E0) and B(E2) values, and branching ratios from previously published experiments are collated with new data presented for the first time in this study. The experimental data are compared to calculations using a five-dimensional collective Hamiltonian (5DCH) based on the covariant density functional theory (CDFT). A realistic potential in the quadrupole shape parameters V(β,γ) is determined from potential energy surfaces (PES) calculated using the CDFT. The parameters of the 5DCH are fixe…

Muon-electron lepton-flavor-violating transitions : Shell-model calculations of transitions in 27Al

2018

In this paper we present the results of large-scale shell-model calculations of muon-to-electron lepton-flavorviolating transitions for the case of the target nucleus 27Al. We extend the previous shell-model calculations, done in the sd model space, by including also the p orbitals in order to see whether the negative-parity states produce any significant effect in the conversion rate. The analysis of the results shows the dominance of coherent transitions mediated by isovector operators and going by the ground state of the target, with practically null influence of excited positive- or negative-parity states. peerReviewed

Katalizatory i proces koordynacyjnej polimeryzacji etylenu - eksperyment i teoria

2004

Badania eksperymentalne i teoretyczne koordynacyjnej polimeryzacji etylenu przeprowadzono wobec katalizatorów otrzymanych z prekursorów - kompleksów halogenków Ti, Zr, Hf, V z organicznymi zasadami Lewisa, nośnika magnezowego [MgCl2(THF)2] i związków glinoorganicznych. Określono zależnosć pomiędzy rodzajem halogenków w prekursorze a aktywnością katalizatora wanadowego. Ustalono profile energetyczne reakcji insercji i terminacji (beta-eliminacji) oraz przeniesienia atomu wodoru beta. Obliczone wartości barier insercji, a także energii wiązania etylenu do centrum aktywnego dobrze korelują z wynikami polimeryzacji. Stwierdzono występowanie w centrach aktywnych oddziaływań agostycznych, które o…

Microscopic structure of coexisting $0^+$ states in $^{68}$Ni probed via two-neutron transfer

2019

© 2019 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. The structure of low-spin states originating from shape-coexisting configurations in Ni284068 was directly probed via the two-neutron transfer reaction Ni66(t,p)Ni68 in inverse kinematics using a radioactive ion beam on a radioactive target. The direct feeding to the first excited 0+ state was measured for center-of-mass angles 4-16 and amounts to an integral of 4.2(16)% rela…

IL-17 and TNF-α Are Key Mediators of Moraxella catarrhalis Triggered Exacerbation of Allergic Airway Inflammation

2017

Alterations of the airway microbiome is often associated with pulmonary diseases. For example, detection of the bacterial pathogen Moraxella catarrhalis in the upper airways is linked with an increased risk to develop or exacerbate asthma. However, the mechanisms by which M. cattarhalis augments allergic airway inflammation (AAI) remains unclear. We here characterized the cellular and soluble mediators of M. catarrhalis triggered excacerbation of AAI in wt and IL-17 deficient as well as in animals treated with TNF-alpha and IL-6 neutralizing antibodies. We compared the type of inflammatory response in M. catarrhalis infected, HDM-allergic and animals infected with M. catarrhalis at differen…