The H + N 2 O → OH + N 2 reaction dynamics on an interpolated QCISD potential energy surface: A quasiclassical trajectory study
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
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Source
Journal of Physical Chemistry A
Type
Journal article