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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 96, 1999 - Issue 12
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Original Articles

A quadratic configuration interaction study of N2O and N2O·−

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Pages 1735-1737 | Received 16 Oct 1998, Accepted 03 Feb 1999, Published online: 01 Sep 2009
 

Abstract

The geometries and vibrational frequencies of both N2O and N2O·– were calculated at the QCISD and QCISD(T) levels of theory using aug-cc-pVDZ and aug-cc-pVTZ basis sets. The electron affinity of N2O was determined to be −0.15 eV. This work corroborates an earlier G2 study and suggests that the currently accepted value for the electron affinity, 0.22eV, is in error. This study represents the best calculation to date for the geometry and vibrational frequencies of N2O·−

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