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Adiabatic electron affinity and ionization potential for BrO radical.

Authors :
Francisco, Joseph S.
Parthiban, Srinivasan
Source :
Journal of Chemical Physics. 12/22/1998, Vol. 109 Issue 24, p10818. 5p. 3 Charts.
Publication Year :
1998

Abstract

Investigates the electron affinity and ionization potential of bromine oxide. Application of the singles and doubles coupled-cluster method with a perturbational correction for connected triple excitations (CCSD(T)); Extrapolation of the CCSD(T)/atomic natural orbital (ANO); Reliability of CCSD(T)/ANO calculations.

Details

Language :
English
ISSN :
00219606
Volume :
109
Issue :
24
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4164015
Full Text :
https://doi.org/10.1063/1.477778