Absolute angle-differential elastic and vibrational excitation cross sections for electron collisions with tetrahydrofuran
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In this article, absolute angle-differential elastic and vibrational excitation cross sections for electron collisions with tetrahydrofuran were measured in the energy range 0.1-20 eV, extending existing measurements to lower energies.Abstract:
Absolute angle-differential elastic and vibrational excitation cross sections for electron collisions with tetrahydrofuran were measured in the energy range 0.1–20 eV, extending existing measurements to lower energies. The elastic cross sections were measured as a function of scattering angle from 10° to 180° at energies of 2 eV, 6 eV, 10 eV and 20 eV, and as a function of electron energy at 45°, 90°, 135° and 180°. The agreement with previous measurements and with the published theoretical work was generally satisfactory. The Ramsauer–Townsend minimum was observed at low energies, down to 0.24 eV at 180°. Three additional minima were observed at 1.13, 4.74 and 15.3 eV in the 180° elastic cross section. Vibrational excitation cross sections are reported as a function of electron energy from the threshold to 16 eV. They reveal threshold peaks and broad bands at 6.2 and 10.8 eV, attributed to shape resonances, in agreement with theoretical predictions, although the calculated energies are generally somewhat higher. A broad enhancement of the CH2 scissoring vibration is observed around 2.6 eV, implying a low-lying (shape) resonance similar to that observed earlier in cyclopropane.read more
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References
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Journal ArticleDOI
General atomic and molecular electronic structure system
Michael W. Schmidt,Kim K. Baldridge,Jerry A. Boatz,Steven T. Elbert,Mark S. Gordon,Jan H. Jensen,Shiro Koseki,Nikita Matsunaga,Kiet A. Nguyen,Shujun Su,Theresa L. Windus,Michel Dupuis,John A. Montgomery +12 more
TL;DR: A description of the ab initio quantum chemistry package GAMESS, which can be treated with wave functions ranging from the simplest closed‐shell case up to a general MCSCF case, permitting calculations at the necessary level of sophistication.
Journal ArticleDOI
Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons
TL;DR: It is shown that reactions of such electrons, even at energies well below ionization thresholds, induce substantial yields of single- and double-strand breaks in DNA, which are caused by rapid decays of transient molecular resonances localized on the DNA's basic components.
Journal ArticleDOI
DNA strand breaks induced by 0-4 eV electrons: the role of shape resonances.
TL;DR: Collisions of 0-4 eV electrons with thin DNA films are shown to produce single strand breaks, which support aspects of a theoretical study by Barrios et al. indicating that such a mechanism could produce strand breaks in DNA.
Journal ArticleDOI
Variational calculations of accurate e − -He cross sections below 19 eV
TL;DR: In this paper, a variational wave function representing target-atom electronic correlation, electric dipole and quadrupole polarizability response, and short-range electron-atom correlation at a level of accuracy sufficient for 1% accuracy in the differential cross section.
Journal ArticleDOI
Principles and procedures for determining absolute differential electron-molecule (atom) scattering cross sections
TL;DR: In this article, the absolute elastic and inelastic differential cross sections (DCS) for electron impact on molecular (atomic) species are described and illustrated by examples, and a method of determining absolute differential electron-molecule scattering cross sections is generally applicable and provides reliable results.