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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

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Date

2004

Authors

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

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

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

Description

Keywords

Keywords: Laser-induced fluorescence (LIF) measurements; Potential-energy surface (PES); Quadratic configuration with single and double excitations (QSISD); Quasiclassical trajectory (QCT); Calibration; Interpolation; Kinetic energy; Nitrogen compounds; Photodissoc

Citation

URI

http://hdl.handle.net/1885/77842

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/jp048366b

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