Ionisation energy, electron affinity, and mass spectral decomposition mechanisms of RDX isomers upon electron attachment and electron ionisation

2016 ◽  
Vol 114 (24) ◽  
pp. 3556-3566 ◽  
Author(s):  
F. A. Akin
Keyword(s):  
Electron Affinity ◽  
Spectral Decomposition ◽  
Electron Attachment ◽  
Energy Electron ◽  
Ionisation Energy ◽  
Mass Spectral ◽  
Decomposition Mechanisms

Low-energy electron attachment to SF6. III. From thermal detachment to the electron affinity of SF6

2007 ◽  
Vol 127 (24) ◽  
pp. 244305 ◽  
Author(s):  
Albert A. Viggiano ◽  
Thomas M. Miller ◽  
Jeffrey F. Friedman ◽  
Jürgen Troe
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electron

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Large Molecules ◽  
Layer Method ◽  
Speed Up ◽  
Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

scholarly journals Selective bond cleavage in RAFT agents promoted by low‐energy electron attachment

2021 ◽  
Author(s):  
Farhad Izadi ◽  
Eugene Arthur-Baidoo ◽  
Lisa T. Strover ◽  
Li-Juan Yu ◽  
Michelle L. Coote ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Electron Attachment ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electron

Low‐energy electron attachment to BCl3

1990 ◽  
Vol 67 (2) ◽  
pp. 675-678 ◽  
Author(s):  
Z. Lj. Petrović ◽  
W. C. Wang ◽  
M. Suto ◽  
J. C. Han ◽  
L. C. Lee
Keyword(s):  
Electron Attachment ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electron

Quantitative Messung des Elektronenaffinitätskontinuums von Chlor mit dem Stoßwellenrohr / Quantitative Measurement Of The Electron Affinity Continuum Of Chlorine With The Shock Tube

1972 ◽  
Vol 27 (6) ◽  
pp. 989-995 ◽  
Author(s):  
G. Pletsch
Keyword(s):  
Shock Tube ◽  
Cross Section ◽  
Electron Affinity ◽  
Quantitative Measurement ◽  
Wavelength Region ◽  
Electron Attachment ◽  
Absolute Intensity ◽  
Intensity Measurements ◽  
Long Wave ◽  
Chlorine Ion

Abstract Using a mixture of chlorine with krypton the continuous spectrum resulting from electron attachment to chlorine atoms is produced in a shock tube. Absolute intensity measurements lead to the detachment cross-section of the negative chlorine ion in the wavelength region between the long-wave threshold at 3434 Å and 2700 Å. The cross-section is compared with known experimental and theoretical values.

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