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F+H2 collisions on two electronic potential energy surfaces: Quantum‐mechanical study of the collinear reaction
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24.Data points for single‐surface comparison probabilities were provided in numerical form by George Schatz (1977, private communication). They are the results presented graphically in Ref. 3(a). However, from Ref. 7, it appears that Schatz et al.3 and Latham et al.4 erred in positioning their energy scales, probably because of insufficiently complete vibrational basis sets and differently defined atomic mass parameters. The height of the transmission peak at is also probably incorrect in Refs. 3(a) and 4. However, the general tendencies of the results obtained in these works are otherwise little changed by the adjustments of Connor et al.7 We present them here in unmodified form.
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26.The referee points out that the vibrational state correlation curves need not have the same minimum values here that they have in Ref. 4 because of the differences in the ways the reaction coordinates are constructed. His emphasis is on the location of the turning center. We place ( ) almost twice as far away from the minimum path as do Latham et al. (see Fig. 2 of Ref. 4). Parametrization of the local vibrational well is therefore different in the two systems at every point along the minimum energy path. We must agree with this observation and are thus made further aware of the need for a more detailed computational analysis.
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