Journal ArticleDOI
Gamma-ray spectra of hexane (C6H14) in positron–electron annihilation process
Reads0
Chats0
TLDR
In this article, the roles of valence electrons in annihilation process for gas and liquid phases of hexane have been recognized for the first time in the present study, which is again in agreement with liquid phase measurement.About:
This article is published in Radiation Physics and Chemistry.The article was published on 2013-08-01. It has received 20 citations till now. The article focuses on the topics: Core electron & Valence (chemistry).read more
Citations
More filters
Journal Article
Comparison of positron and electron binding to molecules
TL;DR: Positron binding to molecules is compared to the analogous electron-molecule bound states and positron binding energies are found to be one to two orders of magnitude larger than those of the negative ions due to two effects: the orientation of the molecular dipole moment allows the positron to approach it more closely and lepton correlations contribute more strongly.
Journal ArticleDOI
Raman spectra of n-pentane, n-hexane, and n-octadecane: experimental and density functional theory (DFT) study
S.M. Kuznetsov,V.S. Novikov,E.A. Sagitova,L. Yu. Ustynyuk,A A Glikin,Kirill A. Prokhorov,G Yu Nikolaeva,Pavel P Pashinin +7 more
Journal ArticleDOI
Differentiation of alkane isomers through binding energy spectra and total momentum cross sections
Zejin Yang,Zejin Yang,Feng Wang +2 more
TL;DR: In this article, the C1s binding energy spectra and total orbital momentum cross sections of small saturated alkanes (up to six carbons) and their isomers are investigated and used to differentiate their structural differences.
Journal ArticleDOI
Binding of a Positron to Nucleic Base Molecules and Their Pairs
TL;DR: The results reveal that binding of a positron to neutral isolated nucleic base molecules is base-selective and one-electron oxidation of nucleicbase molecules and their pairs by positron is proposed.
Journal ArticleDOI
Docking positrophilic electrons into molecular attractive potential of fluorinated methanes
Xiaoguang Ma,Feng Wang +1 more
TL;DR: In this article, the positrophilic electrons of a molecule dock into the positron attractive potential region in the annihilation process under the plane-wave approximation, and the predicted gamma-ray spectra of these fluorinated methanes agree well with the experiments.
References
More filters
Journal ArticleDOI
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
TL;DR: In this paper, an analysis in quantitative form is given in terms of breakdowns of the electronic population into partial and total ''gross atomic populations'' and ''overlap populations'' for molecules.
Journal ArticleDOI
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
TL;DR: In this article, a triple zeta valence (TZV) basis set is presented for Li to Kr. The TZV bases are characterized by typically including a single contraction to describe inner shells and three basis functions for valence shells.
Journal ArticleDOI
Positron-molecule interactions: Resonant attachment, annihilation, and bound states
TL;DR: In this article, the authors present an overview of current understanding of the interaction of low-energy positrons with molecules with emphasis on resonances, positron attachment, and annihilation. But their work is limited to the case where all modes couple to the positron continuum.
Journal ArticleDOI
γ-ray spectra from positron annihilation on atoms and molecules
TL;DR: In this article, the authors studied the effects of positron annihilation on a wide variety of atoms and molecules, including noble gases, a variety of inorganic molecules, alkanes, alkenes, aromatics, and perfluorinated and partially fluorinated hydrocarbons.