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The H + N 2 O → OH + N 2 reaction dynamics on an interpolated QCISD potential energy surface: A quasiclassical trajectory study

Castiglione, J; Aoiz, F; Banares, L; Collins, Michael

Description

The dynamics of the H + N 2O ← OH + N 2 reaction on an interpolated quadratic configuration interaction with single and double excitations (QCISD) potential energy surface (PES) was discussed. It was observed that there was a strong pair-correlation bet

CollectionsANU Research Publications
Date published: 2004
Type: Journal article
URI: http://hdl.handle.net/1885/77842
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp048366b

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