Yung, Yuk L. and Liang, Mao-Chang and Blake, Geoffrey A. and Muller, Richard P. and Miller, Charles E. (2005) Reply to comment by Röckmann and Kaiser on "Evidence for O-atom exchange in the O(^1D) + N_2O reaction as the source of mass-independent isotopic fractionation in atmospheric N_2O". Geophysical Research Letters, 32 (11). Art. No. L11808. ISSN 0094-8276 http://resolver.caltech.edu/CaltechAUTHORS:20120917-160257223
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Based upon the authors’ questioning of the existence of the C_(2v) intermediate, we have reviewed our evidence for the existence of this state. It now appears that this state was in fact an artifact of our calculation [Yung et al., 2004], and was a saddle point rather than a true minimum. Our desire to provide a timely response to this criticism has kept us from determining exactly what minimum structure will be obtained by a full minimization at the level of theory employed. However, it is clear that the C_(2v) symmetry of the compound is broken in such a way that the two N-O bonds are no longer equivalent. We are grateful to the authors for helping us resolve this issue.
|Additional Information:||© 2005 by the American Geophysical Union. Received 9 February 2005; revised 5 April 2005; accepted 10 May 2005; published 10 June 2005. In summary, we thank Röckmann and Kaiser  for their insightful and provocative comments.|
|Official Citation:||Yung, Y. L., M.-C. Liang, G. A. Blake, R. P. Muller, and C. E. Miller (2005), Reply to comment by Röckmann and Kaiser on “Evidence for O-atom exchange in the O(1D) + N2O reaction as the source of mass-independent isotopic fractionation in atmospheric N2O”, Geophys. Res. Lett., 32, L11808, doi:10.1029/2005GL022669|
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|Deposited By:||Tony Diaz|
|Deposited On:||18 Sep 2012 18:59|
|Last Modified:||26 Dec 2012 16:11|
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