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Currently there are no reliable theoretical approaches for calculating fully differential cross sections (FDCSs) for low-energy electron-impact ionization of large molecules. We have recently proposed the orientation-averaged molecular orbital (OAMO) for calculating cross sections averaged over molecular orientations. In this paper, we use the OAMO to calculate distorted wave Born approximation (DWBA) and molecular three-body distorted wave (M3DW) Born approximation FDCS for electron-impact ionization of the nitrogen molecule. Both coplanar symmetric and asymmetric FDCSs are investigated in the energy range of 35.6-400 eV. By comparing with the experimental data, we found that the M3DW is reasonably accurate in this energy range. We also found that the postcollision interaction plays a sufficiently important role and that the DWBA is not reliable.  相似文献   
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Madison  A.E. 《Structural chemistry》2018,29(2):645-655

Penrose-like tilings with higher-order rotational symmetry are discussed. Two new examples of recursive rhombic tilings with 7-fold symmetry are derived. The entangled inflation/deflation rules cyclically permute the characteristic 7-fold patches and provide a possibility of expanding the tilings up to infinity without additional ad hoc rearrangements. The derived tilings are self-similar and fully coincide with themselves after inflations and deflations. The main structural motif is presented by repeatedly appearing seven-pointed stars surrounded by similar seven-pointed stars. Characteristic patches demonstrate mutual metamorphoses. The patches cyclically morph each into another while the tilings as a whole remain self-consistent. The results of the study can be used for the development of new artificial materials with heptagonal symmetry.

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Intense, femtosecond irradiation of atomic and molecular clusters can initiate Coulomb explosions, generating particle energies sufficient to drive nuclear fusion. Last and Jortner have proposed, based on particle dynamics simulations, that heteronuclear clusters with a mixture of heavy and light ions will not explode by the simple, equilibrium Coulomb model but that dynamic effects can lead to a boosting of energy of the lighter ejected ions [Phys. Rev. Lett. 87, 033401 (2001)]. We present experimental confirmation of this theoretically predicted ion energy enhancement in methane clusters.  相似文献   
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We study the quadrupole oscillation of a Bose-Einstein condensate of 87Rb atoms confined in an axisymmetric magnetic trap, after it has been stirred by an auxiliary laser beam. The stirring may lead to the nucleation of one or more vortices, whose presence is revealed unambiguously by the precession of the axes of the quadrupolar mode. For a stirring frequency Omega below the single vortex nucleation threshold Omega(c), no measurable precession occurs. Just above Omega(c), the angular momentum deduced from the precession is approximately Planck's over 2pi. For stirring frequencies above Omega(c) the angular momentum is a smooth and increasing function of Omega, until an angular frequency is reached at which the vortex lattice disappears.  相似文献   
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Cross section data for electron scattering from DNA are important for modelling radiation damage in biological systems. Triply differential cross sections for the electron impact ionization of the highest occupied outer valence orbital of tetrahydrofurfuryl alcohol, which can be considered as an analogue to the deoxyribose backbone molecule in DNA, have been measured using the (e,2e) technique. The measurements have been performed with coplanar asymmetric kinematics at an incident electron energy of 250 eV, an ejected electron energy of 20 eV, and at scattered electron angles of -5°, -10°, and -15°. Experimental results are compared with corresponding theoretical calculations performed using the molecular 3-body distorted wave model. Some important differences are observed between the experiment and calculations.  相似文献   
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A nucleophile crossover experiment was used to monitor the reversibility of nucleophilic addition of benzylamine to π-allylpalladium complexes. Dppe, dppp, dppb, and PHOX showed more crossover than PPh3 and dppm in both DMF and dichloromethane. Crossover was inhibited by the addition of DBU or Cs2CO3, but much less elimination to diene side products was observed with Cs2CO3. Analysis of percent crossover vs. percent reaction completion using the PHOX ligand revealed that with added DBU or Cs2CO3 crossover only began occurring after 100% completion had been reached.  相似文献   
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<正>Two new eudesmane derivatives were isolated from the leaves and flowers of Verbesina virginica,along with the known 6-O-β-E -p-coumaroyl-4α-hydroxyeudesmane(1).Their structures were determined as 6-O-β-Z-p-coumaroyl-4α-hydroxyeudesmane(2) and 6-O-α-E-p-coumaroyl-1β-4α-dihydroxyeudesmane(3) by spectroscopic methods.  相似文献   
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